Basic information
- CAS
77894-10-1- Standard SMILES
COc1cc(-c2ccc(Cl)cc2)ccc1CC(=O)O- InChIKey
MWSAFGVWIYCCAF-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 4-Biphenylacetic acid, 4'-chloro-5-methoxy-
- IUPAC
- 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetic acid
- English name
- 4'-Chloro-5-methoxy-4-biphenylacetic acid
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
BRN 50412124-BIPHENYLACETIC ACID, 4'-CHLORO-5-METHOXY-77894-10-14'-Chloro-5-methoxy-4-biphenylacetic acid4'-Chloro-3-methoxy-(1,1'-biphenyl)-4-acetic acid(1,1'-Biphenyl)-4-acetic acid, 4'-chloro-3-methoxy-DTXSID90228514RefChem:290370DTXCID40151005CHEMBL6988(4'-Chloro-3-methoxy[1,1'-biphenyl]-4-yl)acetic acid[1,1'-Biphenyl]-4-acetic acid, 4'-chloro-3-methoxy-
Database identifiers
- CAS
77894-10-1- PubChem CID
- 53808
- DTXSID
DTXSID90228514- ChEMBL
CHEMBL6988- Nikkaji
- J78.987I
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
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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