2-nitro-9H-carbazole

• ChemBase ID: 798707
• Molecular Formular: C12H8N2O2
• Molecular Mass: 212.20412
• Monoisotopic Mass: 212.05857751
• SMILES: c1ccc2c(c1)[nH]c1cc(ccc21)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1
• InChI: InChI=1S/C12H8N2O2/c15-14(16)8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13H
• InChIKey: RSSFRJAJZYDBDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-nitro-9H-carbazole
• IUPAC Traditional name: 2-nitro-9H-carbazole
• Synonyms: 2-nitrocarbazole

Database IDs

• CAS Number: 14191-22-1

CALCULATED PROPERTIES

• Acid pKa: 12.466615
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0308697
• LogD (pH = 7.4): 3.0308666
• Log P: 3.03087
• Molar Refractivity: 59.7927 cm^3
• Polarizability: 24.936066 Å^3
• Polar Surface Area: 58.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%