2,2-dibromo-1-methylcyclopropane-1-carbonyl chloride

• ChemBase ID: 56643
• Molecular Formular: C5H5Br2ClO
• Molecular Mass: 276.3536
• Monoisotopic Mass: 273.83956646
• SMILES: C1(C(C1)(Br)Br)(C(=O)Cl)C
• Canonical SMILES: ClC(=O)C1(C)CC1(Br)Br
• InChI: InChI=1S/C5H5Br2ClO/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3
• InChIKey: YBVMOPAXONJJDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dibromo-1-methylcyclopropane-1-carbonyl chloride
• IUPAC Traditional name: 2,2-dibromo-1-methylcyclopropane-1-carbonyl chloride
• Synonyms: 2,2-Dibromo-1-methylcyclopropanecarbonyl chloride

Database IDs

• MDL Number: MFCD00760271
• PubChem SID: 162061406
• PubChem CID: 12537179

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2321517
• LogD (pH = 7.4): 2.2321517
• Log P: 2.2321517
• Molar Refractivity: 44.204 cm^3
• Polarizability: 17.29762 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false