Basic information
- CAS
7514-02-5- Standard SMILES
O=C(O)/C(=C\c1ccccc1Cl)c1ccccc1- InChIKey
XRUILMSWZHTDSO-RAXLEYEMSA-N- Molecular formula
- C15H11ClO2
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0447573
Names & identifiers
- Preferred name
- (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enoic acid
- IUPAC
- (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enoic acid
Names & synonyms
MLS0031716147514-02-5728-50-7NSC407584CHEMBL2237324DTXSID20355584AKOS005923147NSC-407584(2Z)-3-(2-Chlorophenyl)-2-phenylprop-2-enoic acid
Database identifiers
- CAS
7514-02-5- PubChem CID
- 807486
- DTXSID
DTXSID20355584- ChEMBL
CHEMBL2237324
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
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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