1-bromo-2-(bromomethyl)-3-fluorobenzene

• ChemBase ID: 246618
• Molecular Formular: C7H5Br2F
• Molecular Mass: 267.9210032
• Monoisotopic Mass: 265.87420238
• SMILES: c1(c(Br)cccc1F)CBr
• Canonical SMILES: BrCc1c(F)cccc1Br
• InChI: InChI=1S/C7H5Br2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
• InChIKey: YCICURIWHWLGTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(bromomethyl)-3-fluorobenzene
• IUPAC Traditional name: 1-bromo-2-(bromomethyl)-3-fluorobenzene
• Synonyms: 1-bromo-2-(bromomethyl)-3-fluorobenzene

Database IDs

• MDL Number: MFCD10698675
• PubChem SID: 164302528
• PubChem CID: 24820209

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6574378
• LogD (pH = 7.4): 3.6574378
• Log P: 3.6574378
• Molar Refractivity: 46.7476 cm^3
• Polarizability: 17.790117 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.93

Product Information

• Purity: 95%