5-fluoro-2-nitrobenzoic Acid Methyl Ester

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5-fluoro-2-nitrobenzoic Acid Methyl Ester

UUID dcd84f44-4561-453e-a84b-0e12207826e8

Deprecated yes

Replaced By d8014497-7810-4afe-89c4-41e0af3f091a

Flow Object ID fo-5acb5c2be03c82cc

Source EF 3.1

Context Environmental → Water → Unknown

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	`dcd84f44-4561-453e-a84b-0e12207826e8`	5-fluoro-2-nitrobenzoic acid methyl ester

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

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

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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