2-(2-chlorophenoxy)-2-methylpropanoyl chloride

• ChemBase ID: 56751
• Molecular Formular: C10H10Cl2O2
• Molecular Mass: 233.0912
• Monoisotopic Mass: 232.00578492
• SMILES: C(C(=O)Cl)(Oc1c(Cl)cccc1)(C)C
• Canonical SMILES: ClC(=O)C(Oc1ccccc1Cl)(C)C
• InChI: InChI=1S/C10H10Cl2O2/c1-10(2,9(12)13)14-8-6-4-3-5-7(8)11/h3-6H,1-2H3
• InChIKey: XSVVKXORYQPBMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenoxy)-2-methylpropanoyl chloride
• IUPAC Traditional name: 2-(2-chlorophenoxy)-2-methylpropanoyl chloride
• Synonyms: 2-(2-Chlorophenoxy)-2-methylpropanoyl chloride

Database IDs

• MDL Number: MFCD11940432
• PubChem SID: 162061514
• PubChem CID: 13978220

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.4324622
• Log P: 3.4324622
• Molar Refractivity: 56.4763 cm^3
• Polarizability: 22.249178 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4324622

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false