1,2-dibromo-1,2-difluoroethene

• ChemBase ID: 100897
• Molecular Formular: C2Br2F2
• Molecular Mass: 221.8262064
• Monoisotopic Mass: 219.83348044
• SMILES: F/C(=C(/Br)\F)/Br
• Canonical SMILES: F/C(=C(/Br)\F)/Br
• InChI: InChI=1S/C2Br2F2/c3-1(5)2(4)6
• InChIKey: HATFLOWGZBUEIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-1,2-difluoroethene
• IUPAC Traditional name: 1,2-dibromo-1,2-difluoroethene
• Synonyms: 1,2-Dibromodifluoroethylene

Database IDs

• CAS Number: 359-21-7
• MDL Number: MFCD09258943
• PubChem SID: 162087104
• PubChem CID: 14949594

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3403928
• LogD (pH = 7.4): 2.3403928
• Log P: 2.3403928
• Molar Refractivity: 46.7028 cm^3
• Polarizability: 10.448009 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC9849

Mixture of E/Z forms