Basic information
- CAS
57831-73-9- Standard SMILES
O=[N+]([O-])c1cnc2n1CCCn1ccnc1-2- InChIKey
XWVVVOXZCVFUSD-UHFFFAOYSA-N- Molecular formula
- C9H9N5O2
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.07562455
Names & identifiers
- Preferred name
- 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 3-nitro-
- IUPAC
- 5-nitro-3,6,10,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraene
Names & synonyms
BRN 11306765H,6H,7H-DIIMIDAZO(1,2-a;2',1'-c)(1,4)DIAZEPINE, 3-NITRO-57831-73-93-Nitro-5H,6H,7H-diimidazo(1,2-a;2',1'-c)(1,4)diazepineDTXSID00206545RefChem:305102DTXCID301290363-Nitro-6,7-dihydro-5H-diimidazo[1,2-a:2',1'-c][1,4]diazepine
Database identifiers
- CAS
57831-73-9- PubChem CID
- 42584
- DTXSID
DTXSID00206545- Nikkaji
- J69.155K
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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