4-Chloroacetoacetamide
Basic information
- CAS
39082-04-7- Standard SMILES
NC(=O)CC(=O)CCl- InChIKey
VCPNLOMAQUZMBY-UHFFFAOYSA-N- Molecular formula
- C4H6ClNO2
- Average molar mass
- 135.55 g/mol
- Monoisotopic mass
- 135.0087061
Overview
See also: Butanamide, 4-chloro-3-oxo- (annotation moved to).
Names & identifiers
- Preferred name
- 4-Chloroacetoacetamide
- IUPAC
- 4-chloro-3-oxobutanamide
- English name
- 4-chloroacetoacetamide
- Molecular formula
- C4H6ClNO2
- Molecular weight
- 135.55
Names & synonyms
4-Chloroacetoacetamide4-chloro-3-oxobutanamide39082-04-7EINECS 254-279-0chloroacetoacetamide4-chloroacetoaceticacid amideSCHEMBL3156448DTXSID20192330AKOS006339397NS00030507Butanamide, 4-chloro-3-oxo-
Database identifiers
- CAS
39082-04-7- PubChem CID
- 3016038
- DTXSID
DTXSID20192330- EC Number
- 254-279-0
- Nikkaji
- J261.299B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 315.9 · 315.9±22.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- pka
- 11.25 · 11.25±0.46(Predicted)
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Related reactions
1 records
Compound notes
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