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5-fluoro-2-nitrobenzoic Acid Methyl Ester

UUID 26598b76-cf46-44e5-b4cc-1d14b81bb7fc
Flow Object IDfo-5acb5c2be03c82cc
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 393-85-1
EC Numbers 609-664-1
prefLabel
Language Value Provenance
en 5-fluoro-2-nitrobenzoic Acid Methyl Ester
altLabel ⓘ
Language Value Provenance
en 2-Nitro-5-fluorobenzoic acid methyl ester
en 3-Methoxycarbonyl-4-nitrofluorobenzene
en 5-Fluoro-2-nitro-benzoic acid methyl ester
en Benzoic acid, 5-fluoro-2-nitro-, methyl ester
en Methyl 3-fluoro-6-nitrobenzoate
en Methyl 5-fluoro-2-nitrobenzoate
References
Shared Properties
Predicate Value
InChIKey CXQTTWVBUDFUNO-ZCFIWIBFSA-N, LCAUVFVOLNRVKG-UHFFFAOYSA-N
InChI InChI=1S/C7H13NO2/c1-10-7(9)6-4-2-3-5-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1, InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
IUPAC name (2R)-2-piperidinecarboxylic acid methyl ester, (2R)-pipecolinic acid methyl ester, 5-fluoro-2-nitro-benzoic acid methyl ester, 5-fluoro-2-nitrobenzoic acid methyl ester, methyl (2R)-piperidine-2-carboxylate, methyl 5-fluoranyl-2-nitro-benzoate, methyl 5-fluoro-2-nitro-benzoate, methyl 5-fluoro-2-nitrobenzoate
Molecular formula C7H13NO2, C8H6FNO4
SMILES COC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-], COC(=O)C1CCCCN1, COC(=O)[C@H]1CCCCN1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 26598b76-cf46-44e5-b4cc-1d14b81bb7fc 5-fluoro-2-nitrobenzoic acid methyl ester

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 5-fluoro-2-nitrobenzoic acid methyl ester Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=5-fluoro-2-nitrobenzoicacidmethylester||dimension=Environmental > media=Ground > geography=Unknown; cas=393-85-1; added Common Chemistry CAS names as altLabel: 2-Nitro-5-fluorobenzoic acid methyl ester, 3-Methoxycarbonyl-4-nitrofluorobenzene, 5-Fluoro-2-nitro-benzoic acid methyl ester, Benzoic acid, 5-fluoro-2-nitro-, methyl ester, Methyl 3-fluoro-6-nitrobenzoate, Methyl 5-fluoro-2-nitrobenzoate; object_uuid=fo-5acb5c2be03c82cc
cas_match_labels 1 — consensus_match group_key=5-fluoro-2-nitrobenzoicacidmethylester||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'393-85-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5acb5c2be03c82cc: {'393-85-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Nitro-5-fluorobenzoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-85-1', 'https://commonchemistry.cas.org/detail?cas_rn=393-85-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methoxycarbonyl-4-nitrofluorobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-85-1', 'https://commonchemistry.cas.org/detail?cas_rn=393-85-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Fluoro-2-nitro-benzoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-85-1', 'https://commonchemistry.cas.org/detail?cas_rn=393-85-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 5-fluoro-2-nitro-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-85-1', 'https://commonchemistry.cas.org/detail?cas_rn=393-85-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 3-fluoro-6-nitrobenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-85-1', 'https://commonchemistry.cas.org/detail?cas_rn=393-85-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 5-fluoro-2-nitrobenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:393-85-1', 'https://commonchemistry.cas.org/detail?cas_rn=393-85-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=5-fluoro-2-nitrobenzoicacidmethylester||dimension=Environmental > media=Ground > geography=Unknown; cas=393-85-1; added Common Chemistry CAS names as altLabel: 2-Nitro-5-fluorobenzoic acid methyl ester, 3-Methoxycarbonyl-4-nitrofluorobenzene, 5-Fluoro-2-nitro-benzoic acid methyl ester, Benzoic acid, 5-fluoro-2-nitro-, methyl ester, Methyl 3-fluoro-6-nitrobenzoate, Methyl 5-fluoro-2-nitrobenzoate; object_uuid=fo-5acb5c2be03c82cc
cas_match_labels None {'393-85-1': 'exactMatch'} group_key=5-fluoro-2-nitrobenzoicacidmethylester||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'393-85-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5acb5c2be03c82cc: {'393-85-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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