5-Methoxy-3-(4-trifluoromethylphenyl)benzoic acid

HCID 53227635

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Basic information

CAS: 1261481-51-9
Standard SMILES: COc1cc(C(=O)O)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIKey: BVKGBNUQUHBSCO-UHFFFAOYSA-N
Molecular formula: C15H11F3O3
Average molar mass: 296.24 g/mol
Monoisotopic mass: 296.06602869

Names & identifiers

Preferred name: 5-Methoxy-3-(4-trifluoromethylphenyl)benzoic acid
IUPAC: 3-methoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid

Names & synonyms

1261481-51-95-Methoxy-4'-(trifluoromethyl)biphenyl-3-carboxylic acid5-METHOXY-3-(4-TRIFLUOROMETHYLPHENYL)BENZOIC ACID3-methoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid5-Methoxy-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acidMFCD18321796DTXSID90691168A1-246895-Methoxy-4'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid

Database identifiers

CAS: 1261481-51-9
PubChem CID: 53227635
DTXSID: DTXSID90691168

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 362

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