2-chloro-2-methylpropanoyl chloride

• ChemBase ID: 240753
• Molecular Formular: C4H6Cl2O
• Molecular Mass: 140.99584
• Monoisotopic Mass: 139.97957017
• SMILES: C(=O)(C(Cl)(C)C)Cl
• Canonical SMILES: ClC(=O)C(Cl)(C)C
• InChI: InChI=1S/C4H6Cl2O/c1-4(2,6)3(5)7/h1-2H3
• InChIKey: DTZKVZKYSZUBAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2-methylpropanoyl chloride
• IUPAC Traditional name: 2-chloro-2-methylpropanoyl chloride
• Synonyms: 2-chloro-2-methylpropanoyl chloride

Database IDs

• MDL Number: MFCD00082188
• PubChem SID: 164296663
• PubChem CID: 11228850

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8488579
• LogD (pH = 7.4): 1.8488579
• Log P: 1.8488579
• Molar Refractivity: 30.4626 cm^3
• Polarizability: 11.998748 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.082

Product Information

• Purity: 95%