4,4'-Dinitrodiphenylmethane

• Catalog Number: ACM1817749
• Product Name: 4,4'-Dinitrodiphenylmethane
• CAS: 1817-74-9
• Category: Heterocyclic Organic Compound
• IUPAC Name: 1-nitro-4-[(4-nitrophenyl)methyl]benzene
• Molecular Weight: 258.23g/mol
• Molecular Formula: C13H10N2O4
• Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C13H10N2O4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(18)19/h1-8H,9H2
• InChI Key: GLBZQZXDUTUCGK-UHFFFAOYSA-N
• Complexity: 289
• Covalently-Bonded Unit Count: 1
• EC Number: 217-330-8
• Exact Mass: 258.064057g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Monoisotopic Mass: 258.064057g/mol
• NSC Number: 631621;6337
• Rotatable Bond Count: 2
• XLogP3: 3.3