3-(4'-Chloro-[1,1'-biphenyl]-4-yl)acrylic acid
Basic information
- CAS
83281-26-9- Standard SMILES
O=C(O)/C=C\c1ccc(-c2ccc(Cl)cc2)cc1- InChIKey
AZQVAMURVZRSHY-KMKOMSMNSA-N- Molecular formula
- C15H11ClO2
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0447573
Names & identifiers
- Preferred name
- 3-(4'-Chloro-[1,1'-biphenyl]-4-yl)acrylic acid
- IUPAC
- (Z)-3-[4-(4-chlorophenyl)phenyl]prop-2-enoic acid
Names & synonyms
NSC9147083281-26-93-(4'-Chloro-[1,1'-biphenyl]-4-yl)acrylic acidDTXSID50418878NSC-91470(2Z)-3-(4'-Chloro[1,1'-biphenyl]-4-yl)prop-2-enoic acid
Database identifiers
- CAS
83281-26-9- PubChem CID
- 5380280
- DTXSID
DTXSID50418878
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 298
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