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

• ChemBase ID: 79798
• Molecular Formular: C15H11Cl2NO
• Molecular Mass: 292.15994
• Monoisotopic Mass: 291.02176934
• SMILES: n1(c2c(cc(cc2)Cl)c2cc(ccc12)Cl)CC1OC1
• Canonical SMILES: Clc1ccc2c(c1)c1cc(Cl)ccc1n2CC1CO1
• InChI: InChI=1S/C15H11Cl2NO/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: WQKPSQDZHVQBOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloro-9-(oxiran-2-ylmethyl)-9H-carbazole
• IUPAC Traditional name: 3,6-dichloro-9-(oxiran-2-ylmethyl)carbazole
• Synonyms: 3-(3,6-Dichloro-9H-carbazol-9-yl)-1,2-propenoxide; 3,6-Dichloro-9-(oxiran-2-ylmethyl)-9H-carbazole

Database IDs

• MDL Number: MFCD00218276
• PubChem SID: 162044561
• PubChem CID: 2775472

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.363918
• LogD (pH = 7.4): 4.363918
• Log P: 4.363918
• Molar Refractivity: 76.7232 cm^3
• Polarizability: 32.167885 Å^3
• Polar Surface Area: 17.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): 4.904

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95%