1-bromo-4-(1-methylcyclopropyl)benzene

• ChemBase ID: 799423
• Molecular Formular: C10H11Br
• Molecular Mass: 211.09834
• Monoisotopic Mass: 210.00441235
• SMILES: c1(ccc(cc1)C1(CC1)C)Br
• Canonical SMILES: CC1(CC1)c1ccc(cc1)Br
• InChI: InChI=1S/C10H11Br/c1-10(6-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
• InChIKey: AEWSCKXHKZOLMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(1-methylcyclopropyl)benzene
• IUPAC Traditional name: 1-bromo-4-(1-methylcyclopropyl)benzene
• Synonyms: 1-bromo-4-(1-methylcyclopropyl)benzene

Database IDs

• CAS Number: 40780-08-3

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8233287
• LogD (pH = 7.4): 3.8233287
• Log P: 3.8233287
• Molar Refractivity: 50.5445 cm^3
• Polarizability: 19.593498 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%