Chlorocinnamic acid
Basic information
- CAS
705-54-4- Standard SMILES
O=C(O)C(Cl)=Cc1ccccc1- InChIKey
IWZNLKUVIIFUOG-UHFFFAOYSA-N- Molecular formula
- C9H7ClO2
- Average molar mass
- 182.6 g/mol
- Monoisotopic mass
- 182.0134572
Names & identifiers
- Preferred name
- Chlorocinnamic acid
- IUPAC
- 2-chloro-3-phenylprop-2-enoic acid
- English name
- 2-Propenoic acid, 2-chloro-3-phenyl-, (Z)-
- Molecular formula
- C9H7ClO2
- Molecular weight
- 182.6
Names & synonyms
chlorocinnamic acidSCHEMBL211298DTXSID403452252-chloro-3-phenylprop-2-enoic acid2-chloro-3-phenyl-prop-2-enoic acid2-Propenoic acid, 2-chloro-3-phenyl-, (Z)-2-Propenoic acid, 2-chloro-3-phenyl-, (2Z)-
Database identifiers
- CAS
705-54-4- PubChem CID
- 602776
- DTXSID
DTXSID40345225
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Chemistry & industry
Applications
Uses(2Z)-2-chloro-3-phenylacrylic Acid is used in preparation of 1,4-Dicarbonyl compounds via iridium-catalyzed visible-light-mediated reaction of α-chloro cinnamates with Enol Acetates.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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