2-chloro-6-ethoxy-4-formylphenyl acetate

• ChemBase ID: 312394
• Molecular Formular: C11H11ClO4
• Molecular Mass: 242.65564
• Monoisotopic Mass: 242.03458651
• SMILES: c1(c(cc(cc1OCC)C=O)Cl)OC(=O)C
• Canonical SMILES: CCOc1cc(C=O)cc(c1OC(=O)C)Cl
• InChI: InChI=1S/C11H11ClO4/c1-3-15-10-5-8(6-13)4-9(12)11(10)16-7(2)14/h4-6H,3H2,1-2H3
• InChIKey: JPTWDAWHCXCPHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-ethoxy-4-formylphenyl acetate
• IUPAC Traditional name: 2-chloro-6-ethoxy-4-formylphenyl acetate
• Synonyms: 2-chloro-6-ethoxy-4-formylphenyl acetate

Database IDs

• CAS Number: 634168-17-5
• MDL Number: MFCD02256447

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0961905
• LogD (pH = 7.4): 2.0961905
• Log P: 2.0961905
• Molar Refractivity: 59.791 cm^3
• Polarizability: 22.992207 Å^3
• Polar Surface Area: 52.6 Å^2