Benzamide, 5-(p-(bis(2-bromoethyl)amino)anilino)-2,4-dinitro-
Basic information
- CAS
32869-03-7- Standard SMILES
NC(=O)c1cc(Nc2ccc(N(CCBr)CCBr)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
GRSSRLBZMNRJQF-UHFFFAOYSA-N- Molecular formula
- C17H17Br2N5O5
- Average molar mass
- 531.2 g/mol
- Monoisotopic mass
- 528.95964
Names & identifiers
- Preferred name
- Benzamide, 5-(p-(bis(2-bromoethyl)amino)anilino)-2,4-dinitro-
- IUPAC
- 5-[4-[bis(2-bromoethyl)amino]anilino]-2,4-dinitrobenzamide
- English name
- 5-(p-(Bis(2-bromoethyl)amino)anilino)-2,4-dinitrobenzamide
- Molecular formula
- C17H17Br2N5O5
- Molecular weight
- 531.16
Names & synonyms
32869-03-75-(p-(Bis(2-bromoethyl)amino)anilino)-2,4-dinitrobenzamideBenzamide, 5-(p-(bis(2-bromoethyl)amino)anilino)-2,4-dinitro-RefChem:321815DTXSID909545285-{4-[Bis(2-bromoethyl)amino]anilino}-2,4-dinitrobenzene-1-carboximidic acidBenzamide, 5-[p-[bis(2-bromoethyl)amino]anilino]-2,4-dinitro- (8CI)
Database identifiers
- CAS
32869-03-7- PubChem CID
- 208709
- DTXSID
DTXSID90954528
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 574
Physicochemical properties
- Boiling point
- 601.9 · 601.9±55.0 °C(Predicted)
- Density
- 1.799 · 1.799±0.06 g/cm3(Predicted)
- pka
- 14.32 · 14.32±0.50(Predicted)
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Related reactions
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Compound notes
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