4-Fluoro-3-(2-methoxy-5-trifluoromethylphenyl)benzoic acid
Basic information
- CAS
1261989-76-7- Standard SMILES
COc1ccc(C(F)(F)F)cc1-c1cc(C(=O)O)ccc1F- InChIKey
JXMWAZCWNYRWCY-UHFFFAOYSA-N- Molecular formula
- C15H10F4O3
- Average molar mass
- 314.23 g/mol
- Monoisotopic mass
- 314.05660683
Names & identifiers
- Preferred name
- 4-Fluoro-3-(2-methoxy-5-trifluoromethylphenyl)benzoic acid
- IUPAC
- 4-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
Names & synonyms
1261989-76-74-FLUORO-3-(2-METHOXY-5-TRIFLUOROMETHYLPHENYL)BENZOIC ACID4-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acidMFCD18322777DTXSID806921294-Fluoro-3-(2-methoxy-5-trifluoromethylphenyl)benzoic acid, 95%6-Fluoro-2'-methoxy-5'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1261989-76-7- PubChem CID
- 53228596
- DTXSID
DTXSID80692129
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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