Basic information
- CAS
20766-37-4- Standard SMILES
CC(=O)C=Cc1ccccc1Cl- InChIKey
FHDSETHROOWFCQ-UHFFFAOYSA-N- Molecular formula
- C10H9ClO
- Average molar mass
- 180.63 g/mol
Names & identifiers
- Preferred name
- 2-Chlorobenzylideneacetone
- IUPAC
- 4-(2-chlorophenyl)but-3-en-2-one
Names & synonyms
2-chlorobenzalacetoneo-chloro-benzalacetone2-chlorobenzylideneacetoneSCHEMBL1447675FHDSETHROOWFCQ-UHFFFAOYSA-N1-(2-chlorophenyl)-1-buten-3-one4-(2-chlorophenyl)-but-3-ene-2-one
Database identifiers
- CAS
20766-37-4- PubChem CID
- 140760
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
13 records
Compound notes
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