2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonyl chloride

• ChemBase编号: 124925
• 分子式: C8H6ClNO4S
• 平均质量: 247.65554
• 单一同位素质量: 246.97060636
• SMILES: c1(S(=O)(=O)Cl)cc(oc1C)c1oncc1
• Canonical SMILES: Cc1oc(cc1S(=O)(=O)Cl)c1ccno1
• InChI: InChI=1S/C8H6ClNO4S/c1-5-8(15(9,11)12)4-7(13-5)6-2-3-10-14-6/h2-4H,1H3
• InChIKey: UESHFPJLRRFUDQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonyl chloride
• IUPAC传统名: 2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonyl chloride
• 别名: 5-(5-isoxazolyl)-2-methyl-3-furansulfonyl chloride; 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride; 5-(isoxazol-5-yl)-2-methylfuran-3-sulfonyl chloride

登记号

• CAS号: 924865-06-5
• MDL号: MFCD09028400
• PubChem SID: 162219278
• PubChem CID: 16767344

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.1111283
• LogD (pH = 7.4): 1.1111287
• Log P: 1.1111287
• 摩尔折射率: 54.2485 cm^3
• 极化性: 22.092281 Å^3
• 极化表面积: 73.31 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C8H6ClNO4S

详细说明

Sigma Aldrich - CBR00135

Other Notes
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