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

• ChemBase编号: 311965
• 分子式: C10H9ClO4
• 平均质量: 228.62906
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 2-chloro-4-formyl-6-methoxyphenyl acetate
• IUPAC传统名: 2-chloro-4-formyl-6-methoxyphenyl acetate
• 别名: 2-chloro-4-formyl-6-methoxyphenyl acetate

登记号

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

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7393825
• LogD (pH = 7.4): 1.7393825
• Log P: 1.7393825
• 摩尔折射率: 55.0424 cm^3
• 极化性: 21.16959 Å^3
• 极化表面积: 52.6 Å^2