3-(3-Fluoro-5-methoxycarbonylphenyl)-5-nitrobenzoic acid

HCID 53228010

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Basic information

CAS: 1262010-31-0
Standard SMILES: COC(=O)c1cc(F)cc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)c1
InChIKey: VMHQFVBXGREJDE-UHFFFAOYSA-N
Molecular formula: C15H10FNO6
Average molar mass: 319.24 g/mol
Monoisotopic mass: 319.0492152

Names & identifiers

Preferred name: 3-(3-Fluoro-5-methoxycarbonylphenyl)-5-nitrobenzoic acid
IUPAC: 3-(3-fluoro-5-methoxycarbonylphenyl)-5-nitrobenzoic acid

Names & synonyms

1262010-31-03-(3-FLUORO-5-METHOXYCARBONYLPHENYL)-5-NITROBENZOIC ACIDMFCD18322180DTXSID506915433-(3-fluoro-5-methoxycarbonyl-phenyl)-5-nitro-benzoic acid3-(3-Fluoro-5-methoxycarbonylphenyl)-5-nitrobenzoic acid, 95%3'-Fluoro-5'-(methoxycarbonyl)-5-nitro[1,1'-biphenyl]-3-carboxylic acid

Database identifiers

CAS: 1262010-31-0
PubChem CID: 53228010
DTXSID: DTXSID50691543

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 109 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 479

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