Basic information
- CAS
75852-59-4- Standard SMILES
CC(C(=O)O)c1cc(Cl)cc(-c2ccc(Cl)cc2)c1- InChIKey
IVHRLHIWQXQHGQ-UHFFFAOYSA-N- Molecular formula
- C15H12Cl2O2
- Average molar mass
- 295.2 g/mol
- Monoisotopic mass
- 294.021435
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4',5-dichloro-alpha-methyl-
- IUPAC
- 2-[3-chloro-5-(4-chlorophenyl)phenyl]propanoic acid
- English name
- 4',5-Dichloro-alpha-methyl-3-biphenylacetic acid
- Molecular formula
- C15H12Cl2O2
- Molecular weight
- 295.16
Names & synonyms
BRN 50595034',5-Dichloro-alpha-methyl-3-biphenylacetic acid75852-59-43-BIPHENYLACETIC ACID, 4',5-DICHLORO-alpha-METHYL-RefChem:277091CHEMBL143851DTXSID509972392-(4',5-Dichloro[1,1'-biphenyl]-3-yl)propanoic acid[1,1'-Biphenyl]-3-acetic acid, 4',5-dichloro-α-methyl-
Database identifiers
- CAS
75852-59-4- PubChem CID
- 53384
- DTXSID
DTXSID50997239- ChEMBL
CHEMBL143851- Nikkaji
- J78.999B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 91 · 91-93 °C
- Boiling point
- 441.3 · 441.3±40.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 4.12 · 4.12±0.13(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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