Tris(4-nitrophenyl)amine

• Catalog Number: ACM20440931
• Product Name: Tris(4-nitrophenyl)amine
• CAS: 20440-93-1
• Category: Heterocyclic Organic Compound
• IUPAC Name: 4-nitro-N,N-bis(4-nitrophenyl)aniline
• Molecular Weight: 380.3g/mol
• Molecular Formula: C18H12N4O6
• Canonical SMILES: C1=CC(=CC=C1N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H
• InChI Key: LSNJBIDKQIRWRQ-UHFFFAOYSA-N
• Complexity: 481
• Covalently-Bonded Unit Count: 1
• Exact Mass: 380.075684g/mol
• Formal Charge: 0
• H-Bond Acceptor: 7
• H-Bond Donor: 0
• Heavy Atom Count: 28
• Monoisotopic Mass: 380.075684g/mol
• Rotatable Bond Count: 3
• XLogP3: 4.6