1,1-dibromo-3-chloro-2,2-dimethylcyclopropane

• ChemBase ID: 83400
• Molecular Formular: C5H7Br2Cl
• Molecular Mass: 262.37008
• Monoisotopic Mass: 259.8603019
• SMILES: BrC1(C(C1Cl)(C)C)Br
• Canonical SMILES: ClC1C(C1(C)C)(Br)Br
• InChI: InChI=1S/C5H7Br2Cl/c1-4(2)3(8)5(4,6)7/h3H,1-2H3
• InChIKey: YSPBDBYOWIVGOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00100732
• PubChem SID: 162070518
• PubChem CID: 2780235

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2108219
• LogD (pH = 7.4): 3.2108219
• Log P: 3.2108219
• Molar Refractivity: 42.7764 cm^3
• Polarizability: 17.017326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true