3-bromo-9-ethyl-9H-carbazole

• ChemBase ID: 798713
• Molecular Formular: C14H12BrN
• Molecular Mass: 274.15578
• Monoisotopic Mass: 273.01531139
• SMILES: c1ccc2c(c1)n(c1ccc(cc21)Br)CC
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)Br
• InChI: InChI=1S/C14H12BrN/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2H2,1H3
• InChIKey: PPHYYUDMDADQPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-9-ethyl-9H-carbazole
• IUPAC Traditional name: 3-bromo-9-ethylcarbazole
• Synonyms: 3-bromo-9-ethylcarbazole

Database IDs

• CAS Number: 57102-97-3

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.440122
• LogD (pH = 7.4): 4.440122
• Log P: 4.440122
• Molar Refractivity: 70.7403 cm^3
• Polarizability: 29.274914 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%