1-bromo-2,5-difluoro-3-methylbenzene

• ChemBase ID: 288938
• Molecular Formular: C7H5BrF2
• Molecular Mass: 207.0154064
• Monoisotopic Mass: 205.9542686
• SMILES: Cc1c(F)c(Br)cc(F)c1
• Canonical SMILES: Fc1cc(C)c(c(c1)Br)F
• InChI: InChI=1S/C7H5BrF2/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,1H3
• InChIKey: JNNPMOZVTOOLEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2,5-difluoro-3-methylbenzene
• IUPAC Traditional name: 1-bromo-2,5-difluoro-3-methylbenzene
• Synonyms: 1-Bromo-2,5-difluoro-3-methylbenzene

Database IDs

• MDL Number: MFCD21603709
• PubChem SID: 180674469
• PubChem CID: 59146241

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5408237
• LogD (pH = 7.4): 3.5408237
• Log P: 3.5408237
• Molar Refractivity: 39.1548 cm^3
• Polarizability: 14.574163 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%