Basic information
- CAS
4960-82-1- Standard SMILES
O=C(CCl)NC(=O)CCl- InChIKey
UWZCYHHAEYIVRW-UHFFFAOYSA-N- Molecular formula
- C4H5Cl2NO2
- Average molar mass
- 169.99 g/mol
- Monoisotopic mass
- 168.96973376
Names & identifiers
- Preferred name
- 2-Chloro-n-(chloroacetyl)acetamide
- IUPAC
- 2-chloro-N-(2-chloroacetyl)acetamide
- English name
- 2-chloro-N-(2-chloroacetyl)acetamide
- Molecular formula
- C4H5Cl2NO2
- Molecular weight
- 169.99
Names & synonyms
2-chloro-n-(chloroacetyl)acetamide4960-82-1NSC 58826NSC58826SCHEMBL28337047DTXSID40878725UWZCYHHAEYIVRW-UHFFFAOYSA-NNSC-58826AKOS006387325Acetamide, 2-chloro-N-(chloroacetyl)-acetamide, 2-chloro-N-(2-chloroacetyl)-2-chloro-N-(2-chloroacetyl)acetamide
Database identifiers
- CAS
4960-82-1- PubChem CID
- 246187
- DTXSID
DTXSID40878725
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Melting point
- 195 °C · 195 °C
- Boiling point
- 288.1 · 288.1±25.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- pka
- 8.84 · 8.84±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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