Basic information
- CAS
75852-57-2- Standard SMILES
CC(C(=O)O)c1cc(Cl)cc(-c2ccccc2)c1- InChIKey
WTKQTBGYJRPMLM-UHFFFAOYSA-N- Molecular formula
- C15H13ClO2
- Average molar mass
- 260.71 g/mol
- Monoisotopic mass
- 260.0604073
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 5-chloro-alpha-methyl-
- IUPAC
- 2-(3-chloro-5-phenylphenyl)propanoic acid
- English name
- 5-Chloro-alpha-methyl-3-biphenylacetic acid
- Molecular formula
- C15H13ClO2
- Molecular weight
- 260.72
Names & synonyms
BRN 50300345-Chloro-alpha-methyl-3-biphenylacetic acid75852-57-23-BIPHENYLACETIC ACID, 5-CHLORO-alpha-METHYL-RefChem:277115CHEMBL356264DTXSID309972372-(5-Chloro[1,1'-biphenyl]-3-yl)propanoic acid[1,1'-Biphenyl]-3-acetic acid, 5-chloro-α-methyl-
Database identifiers
- CAS
75852-57-2- PubChem CID
- 53382
- DTXSID
DTXSID30997237- ChEMBL
CHEMBL356264- Nikkaji
- J78.993C
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
- 286
Physicochemical properties
- Boiling point
- 417.3 · 417.3±33.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 4.13 · 4.13±0.13(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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