2-nitrobenzene-1-diazonium

• ChemBase ID: 107477
• Molecular Formular: C6H4N3O2+
• Molecular Mass: 150.11486
• Monoisotopic Mass: 150.03035138
• SMILES: [O-][N+](=O)c1ccccc1[N+]#N
• Canonical SMILES: N#[N+]c1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C6H4N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4H/q+1
• InChIKey: AYTSDBGAHOKDHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-nitrobenzene-1-diazonium
• IUPAC Traditional name: 2-nitrobenzenediazonium
• Synonyms: FAST ORANGE GR SALT

Database IDs

• CAS Number: 25910-37-6
• EC Number: 247-334-5
• PubChem SID: 162093989
• PubChem CID: 110493

CALCULATED PROPERTIES

• Acid pKa: 17.61552
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7497234
• LogD (pH = 7.4): 1.7497234
• Log P: 1.7497234
• Molar Refractivity: 59.0288 cm^3
• Polarizability: 13.59522 Å^3
• Polar Surface Area: 73.97 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203878

MP Biomedicals Rare Chemical collection