Completing data — usually done within a minute
Basic information
- CAS
39802-79-4- Standard SMILES
O=C(O)C=Cc1ccc(-c2ccccc2Cl)cc1- InChIKey
YZATWOGUTOQHOI-UHFFFAOYSA-N- Molecular formula
- C15H11ClO2
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.04475727
Names & identifiers
- Preferred name
- p-(2-Chlorophenyl)cinnamic acid
- IUPAC
- 3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid
Names & synonyms
39802-79-4p-(2-chlorophenyl)cinnamic acidSCHEMBL11824455YZATWOGUTOQHOI-UHFFFAOYSA-N4-(2'-chlorophenyl)cinnamic acidDTXSID1012287973-(2'-Chloro[1,1'-biphenyl]-4-yl)prop-2-enoic acid3-(2a(2)-Chloro[1,1a(2)-biphenyl]-4-yl)-2-propenoic acid3-(2 inverted exclamation marka-Chloro[1,1 inverted exclamation marka-biphenyl]-4-yl)-2-propenoic acid
Database identifiers
- CAS
39802-79-4- PubChem CID
- 54534814
- DTXSID
DTXSID101228797
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- 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
- 306
Related reactions
4 records
Compound notes
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