3-bromo-9H-carbazole

• ChemBase ID: 68597
• Molecular Formular: C12H8BrN
• Molecular Mass: 246.10262
• Monoisotopic Mass: 244.98401126
• SMILES: [nH]1c2ccc(cc2c2ccccc12)Br
• Canonical SMILES: Brc1ccc2c(c1)c1ccccc1[nH]2
• InChI: InChI=1S/C12H8BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
• InChIKey: LTBWKAYPXIIVPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-9H-carbazole
• IUPAC Traditional name: 3-bromo-9H-carbazole
• Synonyms: 3-Bromo-9H-carbazole

Database IDs

• CAS Number: 1592-95-6
• MDL Number: MFCD00222621
• PubChem SID: 162034327
• PubChem CID: 252446

CALCULATED PROPERTIES

• Acid pKa: 14.88409
• 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: 25.669111 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%