(2-bromo-1-fluoroethyl)benzene

• ChemBase ID: 291222
• Molecular Formular: C8H8BrF
• Molecular Mass: 203.0515232
• Monoisotopic Mass: 201.97934048
• SMILES: FC(c1ccccc1)CBr
• Canonical SMILES: BrCC(c1ccccc1)F
• InChI: InChI=1S/C8H8BrF/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2
• InChIKey: UIXWOQZATLBVFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-1-fluoroethyl)benzene
• IUPAC Traditional name: (2-bromo-1-fluoroethyl)benzene
• Synonyms: (2-Bromo-1-fluoroethyl)benzene

Database IDs

• CAS Number: 1786-36-3
• MDL Number: MFCD13689011
• PubChem SID: 180676753
• PubChem CID: 13147005

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.00674
• LogD (pH = 7.4): 3.00674
• Log P: 3.00674
• Molar Refractivity: 43.1788 cm^3
• Polarizability: 16.466204 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%