2-bromo-1-ethyl-1H-imidazole

• ChemBase ID: 309574
• Molecular Formular: C5H7BrN2
• Molecular Mass: 175.02648
• Monoisotopic Mass: 173.97926023
• SMILES: c1(n(ccn1)CC)Br
• Canonical SMILES: CCn1ccnc1Br
• InChI: InChI=1S/C5H7BrN2/c1-2-8-4-3-7-5(8)6/h3-4H,2H2,1H3
• InChIKey: KRTIATFLKKNABS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-ethyl-1H-imidazole
• IUPAC Traditional name: 2-bromo-1-ethylimidazole
• Synonyms: 2-bromo-1-ethyl-1H-imidazole

Database IDs

• CAS Number: 663171-12-8
• MDL Number: MFCD16687638

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4552239
• LogD (pH = 7.4): 1.4987372
• Log P: 1.499327
• Molar Refractivity: 36.2829 cm^3
• Polarizability: 13.7523155 Å^3
• Polar Surface Area: 17.82 Å^2