Basic information
- CAS
6140-12-1- Standard SMILES
CC(=O)c1ccccc1NC(=O)C(Cl)Cl- InChIKey
RXPVDFOFHSWFKA-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2NO2
- Average molar mass
- 246.09 g/mol
- Monoisotopic mass
- 245.0010339
Names & identifiers
- Preferred name
- Acetamide, N-(2-acetylphenyl)-2,2-dichloro-
- IUPAC
- N-(2-acetylphenyl)-2,2-dichloroacetamide
- English name
- Acetamide, N-(2-acetylphenyl)-2,2-dichloro-
- Molecular formula
- C10H9Cl2NO2
- Molecular weight
- 246.09
Names & synonyms
N-(2-Acetylphenyl)-2,2-dichloroacetamide6140-12-1BRN 2730311Acetamide, N-(2-acetylphenyl)-2,2-dichloro-DTXSID50210334RefChem:315050DTXCID50132825Linagliptin Impurity 161AKOS024382313ST510306246526-45-0
Database identifiers
- CAS
6140-12-1- PubChem CID
- 80229
- DTXSID
DTXSID50210334- Nikkaji
- J1.582.541C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
LogP2.65
Physicochemical properties
- Melting point
- 96.5 · 96.5-97.5 °C
- Boiling point
- 402 · 402.0±45.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 10.63 · 10.63±0.70(Predicted)
Chemistry & industry
Suppliers5 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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