Basic information
- CAS
780004-90-2- Standard SMILES
O=C(CBr)C1CN2CCC1C2- InChIKey
UCRWGQQEKHXERI-UHFFFAOYSA-N- Molecular formula
- C8H12BrNO
- Average molar mass
- 218.09 g/mol
Names & identifiers
- Preferred name
- Ethanone, 1-(1-azabicyclo[2.2.1]hept-3-YL)-2-bromo-, exo-(9CI)
- IUPAC
- 1-(1-azabicyclo[2.2.1]heptan-3-yl)-2-bromoethanone
- English name
- Ethanone, 1-(1-azabicyclo[2.2.1]hept-3-yl)-2-bromo-, endo- (9CI)
- Molecular formula
- C8H12BrNO
- Molecular weight
- 218.09098
Names & synonyms
ETHANONE, 1-(1-AZABICYCLO[2.2.1]HEPT-3-YL)-2-BROMO-, EXO- (9CI)752169-32-7Ethanone, 1-(1-azabicyclo[2.2.1]hept-3-yl)-2-bromo-, endo- (9CI)
Database identifiers
- CAS
780004-90-2
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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