2-bromo-9H-carbazole

• ChemBase ID: 76893
• Molecular Formular: C12H8BrN
• Molecular Mass: 246.10262
• Monoisotopic Mass: 244.98401126
• SMILES: [nH]1c2ccccc2c2c1cc(cc2)Br
• Canonical SMILES: Brc1ccc2c(c1)[nH]c1c2cccc1
• InChI: InChI=1S/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H
• InChIKey: PJRGCJBBXGNEGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-9H-carbazole
• IUPAC Traditional name: 2-bromo-9H-carbazole
• Synonyms: 2-Bromocarbazole; 2-Bromo-9-azafluorene; 2-Bromo-9H-carbazole; 2-bromocarbazole

Database IDs

• CAS Number: 3652-90-2
• MDL Number: MFCD09750430
• PubChem SID: 162041793
• PubChem CID: 12717089

CALCULATED PROPERTIES

• Acid pKa: 14.700831
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 3.8596382
• LogD (pH = 7.4): 3.8596382
• Log P: 3.8596382
• Molar Refractivity: 61.095 cm^3
• Polarizability: 25.669252 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%