Basic information
- Standard SMILES
Cc1cc(C)c(C(=O)CC(=O)CCl)c(C)c1- InChIKey
OJDIIMSZNLMBLI-UHFFFAOYSA-N- Molecular formula
- C13H15ClO2
- Average molar mass
- 238.71 g/mol
- Monoisotopic mass
- 238.0760574
Names & identifiers
- Preferred name
- gamma-Chloroacetoacetylmesitylene
- IUPAC
- 4-chloro-1-(2,4,6-trimethylphenyl)butane-1,3-dione
Names & synonyms
gamma-chloroacetoacetylmesityleneSCHEMBL6908084OJDIIMSZNLMBLI-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22734549
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Related reactions
2 records
Compound notes
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