1-(3-bromopropyl)-2-fluorobenzene

• ChemBase ID: 289570
• Molecular Formular: C9H10BrF
• Molecular Mass: 217.0781032
• Monoisotopic Mass: 215.99499054
• SMILES: Fc1ccccc1CCCBr
• Canonical SMILES: BrCCCc1ccccc1F
• InChI: InChI=1S/C9H10BrF/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7H2
• InChIKey: VFAHCURDJBNWCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromopropyl)-2-fluorobenzene
• IUPAC Traditional name: 1-(3-bromopropyl)-2-fluorobenzene
• Synonyms: 1-(3-Bromopropyl)-2-fluorobenzene

Database IDs

• CAS Number: 129254-75-7
• MDL Number: MFCD09744341
• PubChem SID: 180675101
• PubChem CID: 14883782

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6219149
• LogD (pH = 7.4): 3.6219149
• Log P: 3.6219149
• Molar Refractivity: 48.4808 cm^3
• Polarizability: 18.181032 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%