Basic information
- CAS
297178-87-1- Standard SMILES
O=C(c1ccc([N+](=O)[O-])o1)n1cnc2ccccc21- InChIKey
PEAGYYWBJBZYKU-UHFFFAOYSA-N- Molecular formula
- C12H7N3O4
- Average molar mass
- 257.2 g/mol
- Monoisotopic mass
- 257.04365571
Names & identifiers
- Preferred name
- 1H-benzimidazol-1-yl(5-nitrofuran-2-yl)methanone
- IUPAC
- benzimidazol-1-yl-(5-nitrofuran-2-yl)methanone
Names & synonyms
297178-87-11H-Benzimidazol-1-yl(5-nitro-2-furanyl)methanone1-(5-nitro-2-furoyl)-1H-benzimidazole1-{5-nitro-2-furoyl}-1H-benzimidazole1H-benzimidazol-1-yl(5-nitrofuran-2-yl)methanoneCambridge id 5243481benzimidazol-1-yl-(5-nitrofuran-2-yl)methanoneOprea1_653552DTXSID101238279STK395824AKOS000668831benzimidazolyl 5-nitro(2-furyl) ketone
Show more names
ST50222420AG-690/09136049(1H-Benzimidazol-1-yl)(5-nitrofuran-2-yl)methanone
Database identifiers
- CAS
297178-87-1- PubChem CID
- 823980
- DTXSID
DTXSID101238279
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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