2-(4-chlorophenoxy)-2-methylpropanoyl chloride

• ChemBase ID: 56748
• Molecular Formular: C10H10Cl2O2
• Molecular Mass: 233.0912
• Monoisotopic Mass: 232.00578492
• SMILES: C(C(=O)Cl)(Oc1ccc(Cl)cc1)(C)C
• Canonical SMILES: Clc1ccc(cc1)OC(C(=O)Cl)(C)C
• InChI: InChI=1S/C10H10Cl2O2/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3
• InChIKey: OODRWLGKUBMFLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenoxy)-2-methylpropanoyl chloride
• IUPAC Traditional name: 2-(4-chlorophenoxy)-2-methylpropanoyl chloride
• Synonyms: 2-(4-Chlorophenoxy)-2,2-dimethylacetyl chloride; 2-(4-Chlorophenoxy)-2-methylpropanoyl chloride

Database IDs

• CAS Number: 5542-60-9
• MDL Number: MFCD00128244
• PubChem SID: 162061511
• PubChem CID: 2781312

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4324622
• LogD (pH = 7.4): 3.4324622
• Log P: 3.4324622
• Molar Refractivity: 56.4763 cm^3
• Polarizability: 22.22365 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%