1-(dibromomethyl)-2-fluorobenzene

• ChemBase ID: 96855
• Molecular Formular: C7H5Br2F
• Molecular Mass: 267.9210032
• Monoisotopic Mass: 265.87420238
• SMILES: BrC(c1c(cccc1)F)Br
• Canonical SMILES: BrC(c1ccccc1F)Br
• InChI: InChI=1S/C7H5Br2F/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H
• InChIKey: NSNGJCDLAMBUKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dibromomethyl)-2-fluorobenzene
• IUPAC Traditional name: 1-(dibromomethyl)-2-fluorobenzene
• Synonyms: 2-Fluorobenzal bromide 97%

Database IDs

• MDL Number: MFCD00045061
• PubChem SID: 162083499
• PubChem CID: 2737247

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9580572
• LogD (pH = 7.4): 2.9580572
• Log P: 2.9580572
• Molar Refractivity: 46.8286 cm^3
• Polarizability: 17.721289 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Lachrymator