ethyl 2-(2-chloroethoxy)acetate

• ChemBase ID: 236414
• Molecular Formular: C6H11ClO3
• Molecular Mass: 166.60274
• Monoisotopic Mass: 166.03967189
• SMILES: C(=O)(OCC)COCCCl
• Canonical SMILES: ClCCOCC(=O)OCC
• InChI: InChI=1S/C6H11ClO3/c1-2-10-6(8)5-9-4-3-7/h2-5H2,1H3
• InChIKey: CVYKQPLWSDHSSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-chloroethoxy)acetate
• IUPAC Traditional name: ethyl 2-(2-chloroethoxy)acetate
• Synonyms: ethyl 2-(2-chloroethoxy)acetate

Database IDs

• MDL Number: MFCD08458712
• PubChem SID: 164292324
• PubChem CID: 10964894

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7697246
• LogD (pH = 7.4): 0.7697246
• Log P: 0.7697246
• Molar Refractivity: 37.9581 cm^3
• Polarizability: 15.187312 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.938

Product Information

• Purity: 95%