Basic information
- CAS
439807-18-8- Standard SMILES
CN(C)c1cccc(C(=O)CCl)c1- InChIKey
YQJLVWBAPWTMOU-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0607417
Names & identifiers
- Preferred name
- 2-Chloro-1-[3-(dimethylamino)phenyl]ethan-1-one
- IUPAC
- 2-chloro-1-[3-(dimethylamino)phenyl]ethanone
- English name
- Ethanone, 2-chloro-1-[3-(dimethylamino)phenyl]- (9CI)
- Molecular formula
- C10H12ClNO
- Molecular weight
- 197.66138
Names & synonyms
439807-18-82-Chloro-1-[3-(dimethylamino)phenyl]ethan-1-oneETHANONE, 2-CHLORO-1-[3-(DIMETHYLAMINO)PHENYL]- (9CI)SCHEMBL6496987DTXSID70626135YQJLVWBAPWTMOU-UHFFFAOYSA-N2-chloro-3'-(dimethylamino)acetophenoneDB-276518EN300-1983733ETHANONE, 2-CHLORO-1-[3-(DIMETHYLAMINO)PHENYL]-2-Chloro-1-[3-(dimethylamino)phenyl]ethanone
Database identifiers
- CAS
439807-18-8- PubChem CID
- 22491780
- DTXSID
DTXSID70626135
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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