2-Chloro-2-nitro-1-(1-pyrrolidinyl)-1-butanone
Basic information
- CAS
85823-08-1- Standard SMILES
CCC(Cl)(C(=O)N1CCCC1)[N+](=O)[O-]- InChIKey
AHIAZOCGSRWDGE-UHFFFAOYSA-N- Molecular formula
- C8H13ClN2O3
- Average molar mass
- 220.65 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-2-nitro-1-(1-pyrrolidinyl)-1-butanone
- IUPAC
- 2-chloro-2-nitro-1-pyrrolidin-1-ylbutan-1-one
- English name
- Pyrrolidine, 1-(2-chloro-2-nitro-1-oxobutyl)- (9CI)
- Molecular formula
- C8H13ClN2O3
- Molecular weight
- 220.65
Names & synonyms
2-Chloro-2-nitro-1-(1-pyrrolidinyl)-1-butanone85823-08-11-Butanone, 2-chloro-2-nitro-1-(1-pyrrolidinyl)-Pyrrolidine, 1-(2-chloro-2-nitro-1-oxobutyl)- (9CI)
Database identifiers
- CAS
85823-08-1
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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