3-Chloro-1-(2,5-dimethylphenyl)propan-1-one
Basic information
- CAS
22422-19-1- Standard SMILES
Cc1ccc(C)c(C(=O)CCCl)c1- InChIKey
VAEZTAPZMZMJMT-UHFFFAOYSA-N- Molecular formula
- C11H13ClO
- Average molar mass
- 196.67 g/mol
- Monoisotopic mass
- 196.0654927
Names & identifiers
- Preferred name
- 3-Chloro-1-(2,5-dimethylphenyl)propan-1-one
- IUPAC
- 3-chloro-1-(2,5-dimethylphenyl)propan-1-one
- English name
- 1-Propanone,3-chloro-1-(2,5-dimethylphenyl)-
- Molecular formula
- C11H13ClO
- Molecular weight
- 196.67332
Names & synonyms
22422-19-13-chloro-1-(2,5-dimethylphenyl)propan-1-oneDapoxetine Impurity 591-Propanone,3-chloro-1-(2,5-dimethylphenyl)-NSC813883-Chloro-1-(2,5-dimethylphenyl)-1-propanoneDTXSID80292300CCG-40452MFCD11935571NSC-81388SY394940
Database identifiers
- CAS
22422-19-1- PubChem CID
- 255689
- DTXSID
DTXSID80292300
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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…