Benzenamine,4-Nitro-n-(4-nitrophenyl)-

• Catalog Number: ACM1821278
• Product Name: Benzenamine,4-Nitro-n-(4-nitrophenyl)-
• CAS: 1821-27-8
• Category: Heterocyclic Organic Compound
• IUPAC Name: 4-nitro-N-(4-nitrophenyl)aniline
• Molecular Weight: 259.22g/mol
• Molecular Formula: C12H9N3O4
• Canonical SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C12H9N3O4/c16-14(17)11-5-1-9(2-6-11)13-10-3-7-12(8-4-10)15(18)19/h1-8,13H
• InChI Key: MTWHRQTUBOTQTE-UHFFFAOYSA-N
• Complexity: 291
• Covalently-Bonded Unit Count: 1
• EC Number: 217-343-9
• Exact Mass: 259.059306g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Heavy Atom Count: 19
• Monoisotopic Mass: 259.059306g/mol
• NSC Number: 36659
• Rotatable Bond Count: 2
• XLogP3: 3.6