9-nitroso-9H-carbazole

• ChemBase ID: 106819
• Molecular Formular: C12H8N2O
• Molecular Mass: 196.20472
• Monoisotopic Mass: 196.06366289
• SMILES: O=Nn1c2c(cccc2)c2c1cccc2
• Canonical SMILES: O=Nn1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C12H8N2O/c15-13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
• InChIKey: XPKSVCWBMBPUPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-nitroso-9H-carbazole
• IUPAC Traditional name: 9-nitrosocarbazole
• Synonyms: N-NITROSOCARBAZOLE

Database IDs

• CAS Number: 2788-23-0
• EC Number: 220-517-7
• PubChem SID: 162089048
• PubChem CID: 17743

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.032245
• LogD (pH = 7.4): 3.032245
• Log P: 3.032245
• Molar Refractivity: 58.5337 cm^3
• Polarizability: 24.158611 Å^3
• Polar Surface Area: 34.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: FE6277200

DETAILS

MP Biomedicals - 05201537

MP Biomedicals Rare Chemical collection