Basic information
- CAS
75852-56-1- Standard SMILES
CC(C(=O)O)c1cccc(-c2ccc(Cl)cc2)c1- InChIKey
OAHCVJGEJQPWCP-UHFFFAOYSA-N- Molecular formula
- C15H13ClO2
- Average molar mass
- 260.71 g/mol
- Monoisotopic mass
- 260.0604073
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4'-chloro-alpha-methyl-
- IUPAC
- 2-[3-(4-chlorophenyl)phenyl]propanoic acid
- English name
- 4'-Chloro-alpha-methyl-3-biphenylacetic acid
- Molecular weight
- 0
Names & synonyms
BRN 503064075852-56-14'-Chloro-alpha-methyl-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 4'-CHLORO-alpha-METHYL-RefChem:2771062-(4'-Chloro-[1,1'-biphenyl]-3-yl)propanoic acidCHEMBL357373SCHEMBL6271148DTXSID709972362-(4'-Chloro[1,1'-biphenyl]-3-yl)propanoic acidA1-115878
Database identifiers
- CAS
75852-56-1- PubChem CID
- 53381
- DTXSID
DTXSID70997236- ChEMBL
CHEMBL357373- Nikkaji
- J78.992E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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