1,2-dibromo-2-chloro-3-fluoropropane

• ChemBase ID: 93692
• Molecular Formular: C3H4Br2ClF
• Molecular Mass: 254.3232632
• Monoisotopic Mass: 251.83523003
• SMILES: BrCC(Br)(CF)Cl
• Canonical SMILES: FCC(CBr)(Br)Cl
• InChI: InChI=1S/C3H4Br2ClF/c4-1-3(5,6)2-7/h1-2H2
• InChIKey: VWXWQRSPCISHJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-2-chloro-3-fluoropropane
• IUPAC Traditional name: 1,2-dibromo-2-chloro-3-fluoropropane
• Synonyms: 2-Chloro-1,2-dibromo-3-fluoropropane

Database IDs

• CAS Number: 70192-60-8
• MDL Number: MFCD07784195
• PubChem SID: 162080377
• PubChem CID: 44717195

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6018028
• LogD (pH = 7.4): 2.6018028
• Log P: 2.6018028
• Molar Refractivity: 36.2176 cm^3
• Polarizability: 14.222976 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant