1-bromo-4-(but-1-en-2-yl)benzene

• ChemBase ID: 241005
• Molecular Formular: C10H11Br
• Molecular Mass: 211.09834
• Monoisotopic Mass: 210.00441235
• SMILES: C(=C)(c1ccc(cc1)Br)CC
• Canonical SMILES: CCC(=C)c1ccc(cc1)Br
• InChI: InChI=1S/C10H11Br/c1-3-8(2)9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3
• InChIKey: RGATWDYVVSRVCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(but-1-en-2-yl)benzene
• IUPAC Traditional name: 1-bromo-4-(but-1-en-2-yl)benzene
• Synonyms: 1-bromo-4-(but-1-en-2-yl)benzene

Database IDs

• MDL Number: MFCD20384655
• PubChem SID: 164296915
• PubChem CID: 22166226

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.222664
• LogD (pH = 7.4): 4.222664
• Log P: 4.222664
• Molar Refractivity: 52.2501 cm^3
• Polarizability: 20.201607 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.657

Product Information

• Purity: 95%