3,6-dichloro-9H-carbazole

• ChemBase ID: 91907
• Molecular Formular: C12H7Cl2N
• Molecular Mass: 236.09668
• Monoisotopic Mass: 234.99555459
• SMILES: [nH]1c2c(cc(cc2)Cl)c2c1ccc(c2)Cl
• Canonical SMILES: Clc1ccc2c(c1)c1cc(Cl)ccc1[nH]2
• InChI: InChI=1S/C12H7Cl2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
• InChIKey: BIMDTNQPZWJKPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloro-9H-carbazole
• IUPAC Traditional name: 3,6-dichloro-9H-carbazole
• Synonyms: 3,6-Dichlorocarbazole 97%

Database IDs

• MDL Number: MFCD00218271
• PubChem SID: 162078605
• PubChem CID: 236487

CALCULATED PROPERTIES

• Acid pKa: 14.74634
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 4.298975
• LogD (pH = 7.4): 4.298975
• Log P: 4.298975
• Molar Refractivity: 63.0818 cm^3
• Polarizability: 26.787012 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207-208°C

Safety Information

• Storage Warning: Irritant