5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonyl chloride

• ChemBase编号: 309618
• 分子式: C9H7ClN2O4S
• 平均质量: 274.68088
• 单一同位素质量: 273.98150539
• SMILES: S(=O)(=O)(c1oc(c2oc(nn2)C2CC2)cc1)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc(o1)c1nnc(o1)C1CC1
• InChI: InChI=1S/C9H7ClN2O4S/c10-17(13,14)7-4-3-6(15-7)9-12-11-8(16-9)5-1-2-5/h3-5H,1-2H2
• InChIKey: RSNQWUGGVALTJK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonyl chloride
• IUPAC传统名: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonyl chloride
• 别名: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-furansulfonyl chloride

登记号

• MDL号: MFCD15729954

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.9781574
• LogD (pH = 7.4): 0.9781574
• Log P: 0.9781574
• 摩尔折射率: 69.7635 cm^3
• 极化性: 23.61537 Å^3
• 极化表面积: 86.2 Å^2