2-chloro-8-methoxy-4-methylquinoline

• ChemBase编号: 143793
• 分子式: C11H10ClNO
• 平均质量: 207.6562
• 单一同位素质量: 207.04509163
• SMILES: Cc1cc(nc2c1cccc2OC)Cl
• Canonical SMILES: COc1cccc2c1nc(Cl)cc2C
• InChI: InChI=1S/C11H10ClNO/c1-7-6-10(12)13-11-8(7)4-3-5-9(11)14-2/h3-6H,1-2H3
• InChIKey: QNPCWPGFFYFJCJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-8-methoxy-4-methylquinoline
• IUPAC传统名: 2-chloro-8-methoxy-4-methylquinoline
• 别名: 2-Chloro-8-methoxy-4-methylquinoline; 2-chloro-8-methoxy-4-methylquinoline

登记号

• CAS号: 89445-80-7
• MDL号: MFCD07656563
• PubChem SID: 162238010
• PubChem CID: 7454250

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.3108718
• LogD (pH = 7.4): 3.3108726
• Log P: 3.3108726
• 摩尔折射率: 57.3498 cm^3
• 极化性: 23.152258 Å^3
• 极化表面积: 22.12 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C11H10ClNO

详细说明

Sigma Aldrich - CBR00575

Other Notes
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