Basic information
- CAS
102387-17-7- Standard SMILES
N#Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
OJADUYXHVUCSEM-UHFFFAOYSA-N- Molecular formula
- C20H12N4O5
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 388.0807695
Names & identifiers
- Preferred name
- Benzamide, 4-cyano-N-(4,4'-dinitro(1,1'-biphenyl)-2-yl)-
- IUPAC
- 4-cyano-N-[5-nitro-2-(4-nitrophenyl)phenyl]benzamide
- English name
- 4-Cyano-N-(4,4'-dinitro(1,1'-biphenyl)-2-yl)benzamide
- Molecular formula
- C20H12N4O5
- Molecular weight
- 388.33
Names & synonyms
102387-17-7Benzamide, 4-cyano-N-(4,4'-dinitro(1,1'-biphenyl)-2-yl)-Benzamide,4-cyano-N-(4,4'-dinitro[1,1'-biphenyl]-2-yl)-4-Cyano-N-(4,4'-dinitro(1,1'-biphenyl)-2-yl)benzamide4-cyano-N-(4,4'-dinitro[1,1'-biphenyl]-2-yl)benzamide4-cyano-N-[5-nitro-2-(4-nitrophenyl)phenyl]benzamideDTXSID10144984AN-584/435225134-Cyano-N-(4,4/'-dinitro(1,1/'-biphenyl)-2-yl)benzamideBenzamide, 4-cyano-N-(4,4'-dinitro[1,1'-biphenyl]-2-yl)-
Database identifiers
- CAS
102387-17-7- PubChem CID
- 190367
- DTXSID
DTXSID10144984
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 663
Physicochemical properties
- Boiling point
- 546.8 · 546.8±50.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 11.47 · 11.47±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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