2-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzaldehyde

• ChemBase编号: 311978
• 分子式: C11H11ClO3
• 平均质量: 226.65624
• 单一同位素质量: 226.03967189
• SMILES: c1(c(cc(c(c1)OC)OCC=C)Cl)C=O
• Canonical SMILES: C=CCOc1cc(Cl)c(cc1OC)C=O
• InChI: InChI=1S/C11H11ClO3/c1-3-4-15-11-6-9(12)8(7-13)5-10(11)14-2/h3,5-7H,1,4H2,2H3
• InChIKey: NRDGWVVVMWKGRU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzaldehyde
• IUPAC传统名: 2-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzaldehyde
• 别名: 4-(allyloxy)-2-chloro-5-methoxybenzaldehyde

登记号

• CAS号: 692279-00-8
• MDL号: MFCD02380262

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7057002
• LogD (pH = 7.4): 2.7057002
• Log P: 2.7057002
• 摩尔折射率: 59.5359 cm^3
• 极化性: 22.607695 Å^3
• 极化表面积: 35.53 Å^2