1-bromo-2-cyclopropylbenzene

• ChemBase ID: 799414
• Molecular Formular: C9H9Br
• Molecular Mass: 197.07176
• Monoisotopic Mass: 195.98876229
• SMILES: c1(c(cccc1)C1CC1)Br
• Canonical SMILES: Brc1ccccc1C1CC1
• InChI: InChI=1S/C9H9Br/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2
• InChIKey: DTUGHJZKCKSVEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-cyclopropylbenzene
• IUPAC Traditional name: 1-bromo-2-cyclopropylbenzene
• Synonyms: 1-Bromo-2-cyclopropylbenzene

Database IDs

• CAS Number: 57807-28-0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5232816
• LogD (pH = 7.4): 3.5232816
• Log P: 3.5232816
• Molar Refractivity: 46.0694 cm^3
• Polarizability: 17.770811 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%