2-{Phenyl[3-(trifluoromethyl)phenyl]amino}benzoic acid
Basic information
- CAS
85010-08-8- Standard SMILES
O=C(O)c1ccccc1N(c1ccccc1)c1cccc(C(F)(F)F)c1- InChIKey
IEPOWEALVQJTFU-UHFFFAOYSA-N- Molecular formula
- C20H14F3NO2
- Average molar mass
- 357.3 g/mol
- Monoisotopic mass
- 357.09766318
Names & identifiers
- Preferred name
- 2-{Phenyl[3-(trifluoromethyl)phenyl]amino}benzoic acid
- IUPAC
- 2-(N-[3-(trifluoromethyl)phenyl]anilino)benzoic acid
- English name
- Benzoic acid, 2-[phenyl[3-(trifluoromethyl)phenyl]amino]-
- Molecular formula
- C20H14F3NO2
- Molecular weight
- 357.33
Names & synonyms
85010-08-82-{Phenyl[3-(trifluoromethyl)phenyl]amino}benzoic acidBenzoic acid, 2-[phenyl[3-(trifluoromethyl)phenyl]amino]-SCHEMBL10946240Benzoic acid, 2-[phenyl[3-(trifluoromethyl)phenyl]amino]-IEPOWEALVQJTFU-UHFFFAOYSA-NDTXSID101198326AKOS002662892Brassicasterol Impurity 19
Database identifiers
- CAS
85010-08-8- PubChem CID
- 5084947
- DTXSID
DTXSID101198326
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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