2,7-dibromo-9H-carbazole

• ChemBase ID: 87324
• Molecular Formular: C12H7Br2N
• Molecular Mass: 324.99868
• Monoisotopic Mass: 322.89452323
• SMILES: [nH]1c2c(ccc(c2)Br)c2c1cc(cc2)Br
• Canonical SMILES: Brc1ccc2c(c1)[nH]c1c2ccc(c1)Br
• InChI: InChI=1S/C12H7Br2N/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6,15H
• InChIKey: QPTWWBLGJZWRAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dibromo-9H-carbazole
• IUPAC Traditional name: 2,7-dibromo-9H-carbazole
• Synonyms: 2,7-Dibromocarbazole; 2,7-Dibromo-9H-carbazole

Database IDs

• CAS Number: 136630-39-2
• MDL Number: MFCD09033507
• PubChem SID: 162074431
• PubChem CID: 11151503

CALCULATED PROPERTIES

• Acid pKa: 14.427798
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 4.628391
• LogD (pH = 7.4): 4.628391
• Log P: 4.628391
• Molar Refractivity: 68.7178 cm^3
• Polarizability: 28.433405 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive

Product Information

• Purity: 95+%; 98%