ethyl 2-(2-chlorophenyl)acetate

• ChemBase ID: 804757
• Molecular Formular: C10H11ClO2
• Molecular Mass: 198.64614
• Monoisotopic Mass: 198.04475727
• SMILES: O(C(=O)Cc1c(cccc1)Cl)CC
• Canonical SMILES: CCOC(=O)Cc1ccccc1Cl
• InChI: InChI=1S/C10H11ClO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
• InChIKey: MUANZYIPCHDGJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-chlorophenyl)acetate
• IUPAC Traditional name: ethyl 2-(2-chlorophenyl)acetate
• Synonyms: ETHYL 2-(2-CHLOROPHENYL)ACETATE

Database IDs

• CAS Number: 40061-54-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7177408
• LogD (pH = 7.4): 2.7177408
• Log P: 2.7177408
• Molar Refractivity: 51.6881 cm^3
• Polarizability: 20.334435 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%