Basic information
- CAS
75852-48-1- Standard SMILES
Nc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2)c1- InChIKey
PDKPDHIZMVCABV-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO2
- Average molar mass
- 261.7 g/mol
- Monoisotopic mass
- 261.0556563
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 5-amino-4'-chloro-
- IUPAC
- 2-[3-amino-5-(4-chlorophenyl)phenyl]acetic acid
- English name
- 5-Amino-4'-chloro-3-biphenylacetic acid
- Molecular formula
- C14H12ClNO2
- Molecular weight
- 261.7
Names & synonyms
75852-48-15-Amino-4'-chloro-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 5-AMINO-4'-CHLORO-DTXSID90226752RefChem:277110DTXCID20149243CHEMBL142509SCHEMBL29746063(5-Amino-4'-chloro[1,1'-biphenyl]-3-yl)acetic acid[1,1'-Biphenyl]-3-acetic acid, 5-amino-4'-chloro-
Database identifiers
- CAS
75852-48-1- PubChem CID
- 53374
- DTXSID
DTXSID90226752- ChEMBL
CHEMBL142509- Nikkaji
- J78.968B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 194 · 194-196 °C (decomp)
- Boiling point
- 484.8 · 484.8±40.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 4.22 · 4.22±0.11(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…