4-(2-Fluoro-3-trifluoromethylphenyl)-2-methoxybenzoic acid

HCID 53228296

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1261955-32-1
Standard SMILES: COc1cc(-c2cccc(C(F)(F)F)c2F)ccc1C(=O)O
InChIKey: UTUWHKHHUMOTBN-UHFFFAOYSA-N
Molecular formula: C15H10F4O3
Average molar mass: 314.23 g/mol
Monoisotopic mass: 314.05660683

Names & identifiers

Preferred name: 4-(2-Fluoro-3-trifluoromethylphenyl)-2-methoxybenzoic acid
IUPAC: 4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzoic acid

Names & synonyms

1261955-32-1MFCD183224774-(2-FLUORO-3-TRIFLUOROMETHYLPHENYL)-2-METHOXYBENZOIC ACIDDTXSID306918294-(2-Fluoro-3-trifluoromethylphenyl)-2-methoxybenzoic acid, 95%4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methoxy-benzoic acid4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzoic acid2'-Fluoro-3-methoxy-3'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid2'-Fluoro-3-methoxy-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid

Database identifiers

CAS: 1261955-32-1
PubChem CID: 53228296
DTXSID: DTXSID30691829

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 399

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…