Cupferron

• CAS: 135-20-6
• Catalog Number: ACM135206-1
• Category: Other Products
• Molecular Weight: 155.15
• Molecular Formula: C6H9N3O2
• Synonyms: N-Nitrosophenylhydroxylamine ammonium salt
• IUPAC Name: Azanium;(Z)-oxido-oxidoimino-phenylazanium
• Canonical SMILES: C1=CC=C(C=C1)[N+](=N[O-])[O-].[NH4+]
• InChI: InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,9H;1H3/b8-7-
• InChI Key: GXCSNALCLRPEAS-CFYXSCKTSA-N
• Boiling Point: 278.95 °C
• Melting Point: 150-155 °C
• Complexity: 130
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Exact Mass: 155.069476538
• Formal Charge: 0
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C1=CC=C(C=C1)/[N+](=N/[O-])/[O-].[NH4+]
• Isotope Atom Count: 0
• Monoisotopic Mass: 155.069476538
• Physical State: Needles from water powder
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 65.2 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0