Basic information
- Standard SMILES
COc1ccc(CC(Cl)C=O)cc1- InChIKey
AUCZIYJPBJWJRP-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- 2-Chloro-3-(4-methoxyphenyl)propanal
- IUPAC
- 2-chloro-3-(4-methoxyphenyl)propanal
Names & synonyms
2-chloro-3-(4-methoxyphenyl)propanal807667-27-2SCHEMBL1951994SCHEMBL27728856AUCZIYJPBJWJRP-UHFFFAOYSA-NAKOS011681002DB-192479
Database identifiers
- PubChem CID
- 12102756
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Related reactions
7 records
Compound notes
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