Basic information
- CAS
710308-00-2- Standard SMILES
CC(=O)CC(=O)Nc1c(C)cc(C)cc1Cl- InChIKey
CFIDYCGQNKULEB-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO2
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.0713064
Names & identifiers
- Preferred name
- N-(2-chloro-4,6-dimethylphenyl)-3-oxobutanamide
- IUPAC
- N-(2-chloro-4,6-dimethylphenyl)-3-oxobutanamide
Names & synonyms
N-(2-chloro-4,6-dimethylphenyl)-3-oxobutanamideDTXSID201241558AKOS024381465710308-00-2ST51029112
Database identifiers
- CAS
710308-00-2- PubChem CID
- 4100582
- DTXSID
DTXSID201241558
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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