Basic information
- CAS
664327-70-2- Standard SMILES
N#Cc1cc2cc([N+](=O)[O-])ccc2n2c1nc1ccccc12- InChIKey
BEGOIWGBIIJBQE-UHFFFAOYSA-N- Molecular formula
- C16H8N4O2
- Average molar mass
- 288.26 g/mol
- Monoisotopic mass
- 288.06472551
Names & identifiers
- Preferred name
- Benzimidazo[1,2-a]quinoline-6-carbonitrile, 3-nitro-
- IUPAC
- 3-nitrobenzimidazolo[1,2-a]quinoline-6-carbonitrile
Names & synonyms
664327-70-2Benzimidazo[1,2-a]quinoline-6-carbonitrile, 3-nitro-3-nitrobenzimidazo[1,2-a]quinoline-6-carbonitrileDTXSID50406710STK728661AKOS0004195563-Nitro[1,3]benzimidazo[1,2-a]quinoline-6-carbonitrileZ1114231963-nitrobenzo[4,5]imidazo[1,2-a]quinoline-6-carbonitrile
Database identifiers
- CAS
664327-70-2- PubChem CID
- 4902111
- DTXSID
DTXSID50406710- Nikkaji
- J2.831.139G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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