← Back to consensus flow objects
1-bromo-1,1-difluoroethane
| Flow Object ID | fo-ffbc3e1bba8b4329 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
|||||||||
| Alt Labels |
|
|||||||||
| CAS Numbers |
420-47-3
|
|||||||||
| Changes Applied | 24 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 04206e79-6556-11dd-ad8b-0800200c9a66 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
LBRHUMBEGYYRBE-UHFFFAOYSA-N, MGCGGCMKJWCMKL-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C2H3BrF2/c1-2(3,4)5/h1H3, InChI=1S/C2H3F2I/c1-2(3,4)5/h1H3
|
| IUPAC name |
1,1-bis(fluoranyl)-1-iodanyl-ethane, 1,1-difluoro-1-iodo-ethane, 1,1-difluoro-1-iodoethane, 1-bromanyl-1,1-bis(fluoranyl)ethane, 1-bromo-1,1-difluoro-ethane, 1-bromo-1,1-difluoroethane
|
| Molecular formula |
C2H3BrF2, C2H3F2I
|
| Molecular mass |
144.946
|
| Monoisotopic mass |
143.938619
|
| SMILES |
CC(F)(F)Br, CC(F)(F)I
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.561.582B
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J429.866G
- https://chem.echa.europa.eu/100.320.112
- https://commonchemistry.cas.org/detail?cas_rn=357188-74-0
- https://commonchemistry.cas.org/detail?cas_rn=420-47-3
- https://comptox.epa.gov/dashboard/DTXSID101345244
- https://comptox.epa.gov/dashboard/DTXSID70194809
- https://pubchem.ncbi.nlm.nih.gov/compound/136259
- https://pubchem.ncbi.nlm.nih.gov/compound/136397
- https://www.wikidata.org/wiki/Q82959722
- https://www.wikidata.org/wiki/Q83067630
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
04206e7b… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 0 | 2 |
4d9a8790… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
4d9a8790… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 0 | 2 |
4d9a8790… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 0 | 2 |
4d9a8790… |
EF 3.1 | kg | Environmental → Air → Unknown | 0 | 2 |
04206e79… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 0 | 2 |
04206e7c… |
EF 3.1 | kg | Environmental → Ground → Unknown | 0 | 2 |
04206e7d… |
EF 3.1 | kg | Environmental → Water → Ocean | 0 | 2 |
04206e7a… |
EF 3.1 | kg | Environmental → Water → Surface water | 0 | 2 |
04206e7f… |
EF 3.1 | kg | Environmental → Water → Unknown | 0 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
04206e79… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
04206e79… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
04206e7a… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
04206e7a… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
04206e7b… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
04206e7b… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
04206e7c… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
04206e7c… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
04206e7d… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
04206e7d… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
04206e7e… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
04206e7e… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
04206e7f… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
04206e7f… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
04206e80… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
04206e80… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
4d9a8790… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
4d9a8790… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
4d9a8790… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
4d9a8790… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
4d9a8790… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
4d9a8790… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
4d9a8790… |
altLabel |
— |
[{"@value":"1,1-Difluoro-1-iodoethane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Ethane, 1,1-difluoro-1-iodo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:420-47-3","https://commonchemistry.cas.org/detail?cas_rn=420-47-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; cas=420-47-3; added Common Chemistry CAS names as altLabel: 1,1-Difluoro-1-iodoethane, Ethane, 1,1-difluoro-1-iodo-; object_uuid=fo-ffbc3e1bba8b4329 |
4d9a8790… |
cas_match_labels |
— |
{"420-47-3":"exactMatch"} |
group_key=1-bromo-1,1-difluoroethane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'420-47-3': []}; assigned CAS labels from group consensus; object_uuid=fo-ffbc3e1bba8b4329: {'420-47-3': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-ffbc3e1bba8b4329",
"prefLabel": [
{
"@value": "1-bromo-1,1-difluoroethane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "1,1-Difluoro-1-iodoethane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
},
{
"@value": "Ethane, 1,1-difluoro-1-iodo-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C2H3BrF2",
"C2H3F2I"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:136259",
"CID:136397"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)Br"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"LBRHUMBEGYYRBE-UHFFFAOYSA-N",
"MGCGGCMKJWCMKL-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:136259",
"CID:136397"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)Br"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(F)(F)Br",
"CC(F)(F)I"
],
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:136259",
"CID:136397"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(F)(F)Br"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C2H3BrF2/c1-2(3,4)5/h1H3",
"InChI=1S/C2H3F2I/c1-2(3,4)5/h1H3"
],
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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"prov:hadPrimarySource": [
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