Basic information
- CAS
54152-18-0- Standard SMILES
CC(Cl)C(=O)N1CC2CC2C1- InChIKey
ZQHGNLJZPMTINE-UHFFFAOYSA-N- Molecular formula
- C8H12ClNO
- Average molar mass
- 173.64 g/mol
Names & identifiers
- Preferred name
- 1-(3-Azabicyclo[3.1.0]hexan-3-yl)-2-chloropropan-1-one
- IUPAC
- 1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloropropan-1-one
- English name
- 3-Azabicyclo[3.1.0]hexane, 3-(2-chloro-1-oxopropyl)- (9CI)
- Molecular formula
- C8H12ClNO
- Molecular weight
- 173.64
Names & synonyms
54152-18-0DB-3244683-AZABICYCLO[3.1.0]HEXANE, 3-(2-CHLORO-1-OXOPROPYL)-Reaxys ID: 16366881-Propanone, 1-(3-azabicyclo[3.1.0]hex-3-yl)-2-chloro-3-Azabicyclo[3.1.0]hexane, 3-(2-chloro-1-oxopropyl)- (9CI)
Database identifiers
- CAS
54152-18-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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