HCID13046

2-Mesitylenesulfonyl chloride

2,4,6-trimethylbenzenesulfonyl chloride

C9H11ClO2S218.7 g/molCAS 773-64-8

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1
InChIKey: PVJZBZSCGJAWNG-UHFFFAOYSA-N
分子式: C9H11ClO2S
平均分子量: 218.7 g/mol
单同位素质量: 218.0168285

COMPUTED

结构计算性质

等待补全

XLogP: 3
极性表面积: 42.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 256

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 57 条

2-Mesitylenesulfonyl chloride773-64-8Mesitylenesulfonyl chlorideBenzenesulfonyl chloride, 2,4,6-trimethyl-EINECS 212-257-8NSC 403295BRN 1107601DTXSID902280193-11-00-00346 (Beilstein Handbook Reference)RefChem:87788DTXCID601505102-Mesitylenesulfonyl chloride (8CI)InChI=1/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3HPVJZBZSCGJAWNG-UHFFFAOYSA-N2,4,6-Trimethylbenzenesulfonyl chloride2,4,6-trimethylbenzene-1-sulfonyl chlorideMESITYLSULFONYL CHLORIDEMFCD000074342-MesitylenesulfonylchlorideMesitylene-2-sulphonyl chloride

REACTIONS

参与反应

203 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087750B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094808B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094808B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741361B2

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uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05426119

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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