5-Fluoro-2-(3-methoxyphenyl)benzoic acid

HCID 39232197

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Basic information

CAS: 1181608-96-7
Standard SMILES: COc1cccc(-c2ccc(F)cc2C(=O)O)c1
InChIKey: PUOJBDCOVRGKEP-UHFFFAOYSA-N
Molecular formula: C14H11FO3
Average molar mass: 246.23 g/mol
Monoisotopic mass: 246.06922237

Names & identifiers

Preferred name: 5-Fluoro-2-(3-methoxyphenyl)benzoic acid
IUPAC: 5-fluoro-2-(3-methoxyphenyl)benzoic acid

Names & synonyms

5-FLUORO-2-(3-METHOXYPHENYL)BENZOIC ACID1181608-96-74-Fluoro-3'-methoxy[1,1'-biphenyl]-2-carboxylic acidMFCD11933534DTXSID70653522AKOS0058210275-Fluoro-2-(3-methoxyphenyl)benzoic acid, 95%

Database identifiers

CAS: 1181608-96-7
PubChem CID: 39232197
DTXSID: DTXSID70653522

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 295

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