9-(2,3-dichloropropyl)-9H-carbazole

• ChemBase ID: 85102
• Molecular Formular: C15H13Cl2N
• Molecular Mass: 278.17642
• Monoisotopic Mass: 277.04250478
• SMILES: n1(c2ccccc2c2c1cccc2)CC(Cl)CCl
• Canonical SMILES: ClCC(Cn1c2ccccc2c2c1cccc2)Cl
• InChI: InChI=1S/C15H13Cl2N/c16-9-11(17)10-18-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18/h1-8,11H,9-10H2
• InChIKey: SJSRIMPBLBCLCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2,3-dichloropropyl)-9H-carbazole
• IUPAC Traditional name: 9-(2,3-dichloropropyl)carbazole
• Synonyms: 9-(2,3-dichloropropyl)-9H-carbazole

Database IDs

• MDL Number: MFCD00227694
• PubChem SID: 162072218
• PubChem CID: 2795126

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7033086
• LogD (pH = 7.4): 4.7033086
• Log P: 4.7033086
• Molar Refractivity: 76.7257 cm^3
• Polarizability: 32.143555 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true