3-Amino-5-(4-carboxy-3-fluorophenyl)benzoic acid

HCID 53227366

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Basic information

CAS: 1262006-72-3
Standard SMILES: Nc1cc(C(=O)O)cc(-c2ccc(C(=O)O)c(F)c2)c1
InChIKey: DDYNBOOTTXBDNA-UHFFFAOYSA-N
Molecular formula: C14H10FNO4
Average molar mass: 275.23 g/mol
Monoisotopic mass: 275.05938596

Names & identifiers

Preferred name: 3-Amino-5-(4-carboxy-3-fluorophenyl)benzoic acid
IUPAC: 4-(3-amino-5-carboxyphenyl)-2-fluorobenzoic acid

Names & synonyms

1262006-72-33-AMINO-5-(4-CARBOXY-3-FLUOROPHENYL)BENZOIC ACIDMFCD183214944-(3-amino-5-carboxyphenyl)-2-fluorobenzoic acidDTXSID206909224-(3-amino-5-carboxy-phenyl)-2-fluoro-benzoic acid3-Amino-5-(4-carboxy-3-fluorophenyl)benzoic acid, 95%5-Amino-3'-fluoro[1,1'-biphenyl]-3,4'-dicarboxylic acid

Database identifiers

CAS: 1262006-72-3
PubChem CID: 53227366
DTXSID: DTXSID20690922

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 101 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 389

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