1-(3-bromopropyl)-3-fluorobenzene

• ChemBase ID: 248048
• Molecular Formular: C9H10BrF
• Molecular Mass: 217.0781032
• Monoisotopic Mass: 215.99499054
• SMILES: c1c(F)cccc1CCCBr
• Canonical SMILES: BrCCCc1cccc(c1)F
• InChI: InChI=1S/C9H10BrF/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,2,4,6H2
• InChIKey: CDHMFRCDGRGHMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09744412
• PubChem SID: 164303958
• PubChem CID: 14943417

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: 18.179785 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.695

Product Information

• Purity: 95%