2-(2-chlorophenoxy)propanoyl chloride

• ChemBase ID: 56689
• Molecular Formular: C9H8Cl2O2
• Molecular Mass: 219.06462
• Monoisotopic Mass: 217.99013486
• SMILES: C(=O)(C(Oc1c(Cl)cccc1)C)Cl
• Canonical SMILES: ClC(=O)C(Oc1ccccc1Cl)C
• InChI: InChI=1S/C9H8Cl2O2/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3
• InChIKey: CDGDMQMBRZYOND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02295754
• PubChem SID: 162061452
• PubChem CID: 15006563

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9996965
• LogD (pH = 7.4): 2.9996965
• Log P: 2.9996965
• Molar Refractivity: 51.763 cm^3
• Polarizability: 20.423262 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