Basic information
- CAS
51028-88-7- Standard SMILES
COc1cc(CC(=O)O)cc(-c2ccccc2Cl)c1- InChIKey
QACBUFQVMMIRKQ-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 2'-chloro-5-methoxy-
- IUPAC
- 2-[3-(2-chlorophenyl)-5-methoxyphenyl]acetic acid
- English name
- 2'-Chloro-5-methoxy-1,1'-biphenyl-3-acetic acid
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
51028-88-72'-Chloro-5-methoxy-3-biphenylacetic acidBRN 21351163-BIPHENYLACETIC ACID, 2'-CHLORO-5-METHOXY-DTXSID90199033RefChem:277088DTXCID201215242-[3-(2-chlorophenyl)-5-methoxyphenyl]acetic acidCHEMBL344376(2'-Chloro-5-methoxy[1,1'-biphenyl]-3-yl)acetic acid2'-Chloro-5-methoxy-1,1'-biphenyl-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 2'-chloro-5-methoxy-
Database identifiers
- CAS
51028-88-7- PubChem CID
- 39875
- DTXSID
DTXSID90199033- ChEMBL
CHEMBL344376- Nikkaji
- J78.982H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 423.1 · 423.1±35.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- pka
- 4.12 · 4.12±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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