3-Azabicyclo[3.3.1]non-6-ene, 6-bromo-3-methyl-1,5-dinitro-
Basic information
- CAS
634169-16-7- Standard SMILES
CN1CC2([N+](=O)[O-])CC=C(Br)C([N+](=O)[O-])(C1)C2- InChIKey
XMQBZZLOUSYVLH-UHFFFAOYSA-N- Molecular formula
- C9H12BrN3O4
- Average molar mass
- 306.11 g/mol
- Monoisotopic mass
- 305.00112
Names & identifiers
- Preferred name
- 3-Azabicyclo[3.3.1]non-6-ene, 6-bromo-3-methyl-1,5-dinitro-
- IUPAC
- 6-bromo-3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
Names & synonyms
634169-16-73-Azabicyclo[3.3.1]non-6-ene, 6-bromo-3-methyl-1,5-dinitro-6-bromo-3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-eneDTXSID90391232AKOS001754853SR-01000091690SR-01000091690-16-bromo-3-methyl-1,5-dinitro-3-azabicyclo-[3.3.1]non-6-ene
Database identifiers
- CAS
634169-16-7- PubChem CID
- 3301934
- DTXSID
DTXSID90391232
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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