1,2-bis(bromomethyl)-4-fluorobenzene

• ChemBase ID: 180279
• Molecular Formular: C8H7Br2F
• Molecular Mass: 281.9475832
• Monoisotopic Mass: 279.88985244
• SMILES: c1(c(ccc(c1)F)CBr)CBr
• Canonical SMILES: BrCc1cc(F)ccc1CBr
• InChI: InChI=1S/C8H7Br2F/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,4-5H2
• InChIKey: BTAKGWBWUAVBGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-bis(bromomethyl)-4-fluorobenzene
• IUPAC Traditional name: 1,2-bis(bromomethyl)-4-fluorobenzene
• Synonyms: 1,2-Bis(bromomethyl)-4-fluorobenzene

Database IDs

• PubChem SID: 164236189
• PubChem CID: 11780972

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6614225
• LogD (pH = 7.4): 3.6614225
• Log P: 3.6614225
• Molar Refractivity: 51.9752 cm^3
• Polarizability: 19.46886 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true