3-Chloro-1-(2,4-dimethylphenyl)propan-1-one
Basic information
- CAS
22422-22-6- Standard SMILES
Cc1ccc(C(=O)CCCl)c(C)c1- InChIKey
GWEFPGZVZZGERU-UHFFFAOYSA-N- Molecular formula
- C11H13ClO
- Average molar mass
- 196.67 g/mol
- Monoisotopic mass
- 196.0654927
Names & identifiers
- Preferred name
- 3-Chloro-1-(2,4-dimethylphenyl)propan-1-one
- IUPAC
- 3-chloro-1-(2,4-dimethylphenyl)propan-1-one
- English name
- 3-chloro-1-(2,4-dimethylphenyl)propan-1-one
- Molecular formula
- C11H13ClO
- Molecular weight
- 0
Names & synonyms
3-chloro-1-(2,4-dimethylphenyl)propan-1-one22422-22-6NSC465023-Chloro-1-(2,4-dimethylphenyl)-1-propanoneDTXSID80286562MFCD14529820NSC-46502SY394827DS-004777
Database identifiers
- CAS
22422-22-6- PubChem CID
- 240359
- DTXSID
DTXSID80286562
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Chemistry & industry
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Compound notes
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