2-methyl-6-nitro-2H-indazole

• ChemBase ID: 816102
• Molecular Formular: C8H7N3O2
• Molecular Mass: 177.16008
• Monoisotopic Mass: 177.05382648
• SMILES: c1n(nc2cc(ccc12)[N+](=O)[O-])C
• Canonical SMILES: Cn1cc2c(n1)cc(cc2)[N+](=O)[O-]
• InChI: InChI=1S/C8H7N3O2/c1-10-5-6-2-3-7(11(12)13)4-8(6)9-10/h2-5H,1H3
• InChIKey: RJFYXEGJMSZKIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-nitro-2H-indazole
• IUPAC Traditional name: 2-methyl-6-nitroindazole
• Synonyms: 2-METHYL-6-NITRO-2H-INDAZOLE

Database IDs

• CAS Number: 6850-22-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7164164
• LogD (pH = 7.4): 1.7164172
• Log P: 1.7164172
• Molar Refractivity: 57.3601 cm^3
• Polarizability: 18.274485 Å^3
• Polar Surface Area: 60.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%