2-chloro-4-formyl-6-methoxyphenyl acetate

• ChemBase ID: 311965
• Molecular Formular: C10H9ClO4
• Molecular Mass: 228.62906
• Monoisotopic Mass: 228.01893645
• SMILES: c1(c(cc(cc1OC)C=O)Cl)OC(=O)C
• Canonical SMILES: O=Cc1cc(Cl)c(c(c1)OC)OC(=O)C
• InChI: InChI=1S/C10H9ClO4/c1-6(13)15-10-8(11)3-7(5-12)4-9(10)14-2/h3-5H,1-2H3
• InChIKey: GYUHZYYDMKQBME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-formyl-6-methoxyphenyl acetate
• IUPAC Traditional name: 2-chloro-4-formyl-6-methoxyphenyl acetate
• Synonyms: 2-chloro-4-formyl-6-methoxyphenyl acetate

Database IDs

• CAS Number: 63055-10-7
• MDL Number: MFCD02256370

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7393825
• LogD (pH = 7.4): 1.7393825
• Log P: 1.7393825
• Molar Refractivity: 55.0424 cm^3
• Polarizability: 21.16959 Å^3
• Polar Surface Area: 52.6 Å^2