Basic information
- Standard SMILES
COC(=O)C(=Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1- InChIKey
MYYSTDGUWXNYOH-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2O3
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 334.0163496
Names & identifiers
- Preferred name
- Methyl alpha-(2,3-dichlorophenylmethylene)-beta-oxobenzenepropanoate
- IUPAC
- methyl 2-benzoyl-3-(2,3-dichlorophenyl)prop-2-enoate
Names & synonyms
SCHEMBL7433136MYYSTDGUWXNYOH-UHFFFAOYSA-Nmethyl alpha-(2,3-dichlorophenylmethylene)-beta-oxobenzenepropanoate
Database identifiers
- PubChem CID
- 54098640
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Related reactions
1 records
Compound notes
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