1-(2-bromoethenyl)-4-fluorobenzene

• ChemBase ID: 246529
• Molecular Formular: C8H6BrF
• Molecular Mass: 201.0356432
• Monoisotopic Mass: 199.96369041
• SMILES: C(=C\c1ccc(F)cc1)/Br
• Canonical SMILES: Br/C=C/c1ccc(cc1)F
• InChI: InChI=1S/C8H6BrF/c9-6-5-7-1-3-8(10)4-2-7/h1-6H
• InChIKey: GSOVTFWJZJYQSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethenyl)-4-fluorobenzene
• IUPAC Traditional name: 1-(2-bromoethenyl)-4-fluorobenzene
• Synonyms: 1-(2-bromoethenyl)-4-fluorobenzene

Database IDs

• MDL Number: MFCD12923156
• PubChem SID: 164302439
• PubChem CID: 643345

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3345554
• LogD (pH = 7.4): 3.3345554
• Log P: 3.3345554
• Molar Refractivity: 43.5803 cm^3
• Polarizability: 16.267677 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.352

Product Information

• Purity: 95%