3-Nitro-N-[[(3-nitrobenzoyl)amino](3-nitrophenyl)methyl]benzamide
Basic information
- CAS
314750-38-4- Standard SMILES
O=C(NC(NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1- InChIKey
PJEGCFLASCHJSW-UHFFFAOYSA-N- Molecular formula
- C21H15N5O8
- Average molar mass
- 465.4 g/mol
- Monoisotopic mass
- 465.09206245
Names & identifiers
- Preferred name
- 3-Nitro-N-[[(3-nitrobenzoyl)amino](3-nitrophenyl)methyl]benzamide
- IUPAC
- 3-nitro-N-[[(3-nitrobenzoyl)amino]-(3-nitrophenyl)methyl]benzamide
- English name
- 3-Nitro-N-[[(3-nitrobenzoyl)amino](3-nitrophenyl)methyl]benzamide
- Molecular formula
- C21H15N5O8
- Molecular weight
- 465.37
Names & synonyms
AKOS002279508ST507841453-NITRO-N-[[(3-NITROBENZOYL)AMINO](3-NITROPHENYL)METHYL]BENZAMIDE(3-nitrophenyl)-N-{(3-nitrophenyl)[(3-nitrophenyl)carbonylamino]methyl}carboxa mideBenzamide, N,N′-[(3-nitrophenyl)methylene]bis[3-nitro-
Database identifiers
- CAS
314750-38-4- PubChem CID
- 3606641
- EC Number
- 164-451-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 744
Physicochemical properties
- Boiling point
- 758.7 · 758.700±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.907 · 10.907±0.46(predicted)
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Compound notes
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