3,6-dibromo-9-(oxiran-2-ylmethyl)-9H-carbazole

• ChemBase ID: 79799
• Molecular Formular: C15H11Br2NO
• Molecular Mass: 381.06194
• Monoisotopic Mass: 378.92073798
• SMILES: n1(c2c(cc(cc2)Br)c2cc(ccc12)Br)CC1OC1
• Canonical SMILES: Brc1ccc2c(c1)c1cc(Br)ccc1n2CC1CO1
• InChI: InChI=1S/C15H11Br2NO/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11-8-19-11/h1-6,11H,7-8H2
• InChIKey: DGMRGIDWASSLGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dibromo-9-(oxiran-2-ylmethyl)-9H-carbazole
• IUPAC Traditional name: 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole
• Synonyms: 3,6-dibromo-9-(oxiran-2-ylmethyl)-9H-carbazole

Database IDs

• MDL Number: MFCD00218277
• PubChem SID: 162044562
• PubChem CID: 2775473

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6933336
• LogD (pH = 7.4): 4.6933336
• Log P: 4.6933336
• Molar Refractivity: 82.3592 cm^3
• Polarizability: 33.866714 Å^3
• Polar Surface Area: 17.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144°C
• Hydrophobicity(logP): 5.204

Product Information

• Purity: 95%