2-(2-chlorophenoxy)acetyl chloride

• ChemBase ID: 56664
• Molecular Formular: C8H6Cl2O2
• Molecular Mass: 205.03804
• Monoisotopic Mass: 203.97448479
• SMILES: C(=O)(COc1c(Cl)cccc1)Cl
• Canonical SMILES: ClC(=O)COc1ccccc1Cl
• InChI: InChI=1S/C8H6Cl2O2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2
• InChIKey: IKODIMKOCSGKHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02295746
• PubChem SID: 162061427
• PubChem CID: 12446887

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4309323
• LogD (pH = 7.4): 2.4309323
• Log P: 2.4309323
• Molar Refractivity: 47.2691 cm^3
• Polarizability: 18.600634 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false