2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine hydrochloride

• ChemBase编号: 143866
• 分子式: C9H10Cl2N2
• 平均质量: 217.0951
• 单一同位素质量: 216.02210369
• SMILES: Cc1ccn2cc(nc2c1)CCl.Cl
• Canonical SMILES: ClCc1cn2c(n1)cc(cc2)C.Cl
• InChI: InChI=1S/C9H9ClN2.ClH/c1-7-2-3-12-6-8(5-10)11-9(12)4-7;/h2-4,6H,5H2,1H3;1H
• InChIKey: GWCDKJFDCLMCSE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine hydrochloride
• IUPAC传统名: 2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine hydrochloride
• 别名: 2-(Chloromethyl)-7-methylimidazo[1,2-a]pyridine hydrochloride

登记号

• MDL号: MFCD11108813
• PubChem SID: 162238083
• PubChem CID: 53398854

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.3903943
• LogD (pH = 7.4): 1.926818
• Log P: 1.9416848
• 摩尔折射率: 50.3223 cm^3
• 极化性: 18.708824 Å^3
• 极化表面积: 17.3 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): C9H10Cl2N2

详细说明

Sigma Aldrich - CBR00770

Other Notes
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