6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one
Basic information
- CAS
14789-79-8- Standard SMILES
CC1=CC=CC(=O)C1(C)C(Cl)Cl- InChIKey
OESNZIWKFZZDPM-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2O
- Average molar mass
- 205.08 g/mol
- Monoisotopic mass
- 204.0108703
Names & identifiers
- Preferred name
- 6-(Dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one
- IUPAC
- 6-(dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-one
Names & synonyms
14789-79-86-(dichloromethyl)-5,6-dimethylcyclohexa-2,4-dien-1-oneNSC147456DTXSID40301922NSC-147456
Database identifiers
- CAS
14789-79-8- PubChem CID
- 287422
- DTXSID
DTXSID40301922
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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