Basic information
- CAS
103706-79-2- Standard SMILES
O=C(NCn1cnc2ccc([N+](=O)[O-])cc21)c1ccccc1- InChIKey
GGNSDCJNCSNCFA-UHFFFAOYSA-N- Molecular formula
- C15H12N4O3
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.09094026
Names & identifiers
- Preferred name
- Benzamide, N-((6-nitro-1H-benzimidazol-1-yl)methyl)-
- IUPAC
- N-[(6-nitrobenzimidazol-1-yl)methyl]benzamide
- English name
- N-((6-Nitro-1H-benzimidazol-1-yl)methyl)benzamide
- Molecular formula
- C15H12N4O3
- Molecular weight
- 296.28
Names & synonyms
103706-79-2Benzamide, N-((6-nitro-1H-benzimidazol-1-yl)methyl)-N-((6-Nitro-1H-benzimidazol-1-yl)methyl)benzamideDTXSID00146018RefChem:322055DTXCID2068509N-[(6-nitrobenzimidazol-1-yl)methyl]benzamideN-((6-NITRO-1H-BENZO[D]IMIDAZOL-1-YL)METHYL)BENZAMIDEN-[(6-Nitro-1H-1,3-benzimidazol-1-yl)methyl]benzamideBenzamide, N-[(6-nitro-1H-benzimidazol-1-yl)methyl]-
Database identifiers
- CAS
103706-79-2- PubChem CID
- 3025504
- DTXSID
DTXSID00146018
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 205 °C · 205 °C
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 13.46 · 13.46±0.46(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…