4-Amino-3'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
Basic information
- CAS
885268-28-0- Standard SMILES
Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1C(=O)O- InChIKey
YMJPLCDPUVMMRH-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO2
- Average molar mass
- 281.23 g/mol
- Monoisotopic mass
- 281.06636305
Names & identifiers
- Preferred name
- 4-Amino-3'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
- IUPAC
- 2-amino-5-[3-(trifluoromethyl)phenyl]benzoic acid
- English name
- 4-Amino-3'-(trifluoromethyl)-1,1'-biphenyl-3-carboxylic acid
- Molecular formula
- C14H10F3NO2
- Molecular weight
- 281.23
Names & synonyms
885268-28-02-amino-5-[3-(trifluoromethyl)phenyl]benzoic acid4-Amino-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid4-Amino-3'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acidSCHEMBL22497505SCHEMBL30279482DTXSID30588068YMJPLCDPUVMMRH-UHFFFAOYSA-NMFCD06409302AKOS000124531CS-0458472EN300-144703
Show more names
AKOS BAR-07754-Amino-3'-(trifluoromethyl)-1,1'-biphenyl-3-carboxylic acid[1,1'-BIPHENYL]-3-CARBOXYLIC ACID, 4-AMINO-3'-(TRIFLUOROMETHYL)-
H29232A1-29036
Database identifiers
- CAS
885268-28-0- PubChem CID
- 16768630
- DTXSID
DTXSID30588068
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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