HCID562787

4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride

C10H13ClO3S248.73 g/molCAS 80745-07-9

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IDENTITY

结构与身份

标准SMILES: COc1cc(C)c(S(=O)(=O)Cl)c(C)c1C
InChIKey: DWLYVEYCCPEHLX-UHFFFAOYSA-N
分子式: C10H13ClO3S
平均分子量: 248.73 g/mol
单同位素质量: 248.0273931

COMPUTED

结构计算性质

等待补全

XLogP: 3
极性表面积: 51.8 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 309

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 27 条

80745-07-94-Methoxy-2,3,6-trimethylbenzenesulfonyl chlorideDTXSID00340236RefChem:99569DTXCID20291317626-430-4DWLYVEYCCPEHLX-UHFFFAOYSA-N4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chlorideMFCD000388464-methoxy-2,3,6-trimethyl-benzenesulfonyl chloride4-methoxy-2,3,6-trimethylphenylsulfonyl chlorideSCHEMBL248149SBB063084AKOS006222485DS-6170DB-056454CS-01870244-methoxy-2,3,6-trimethylphenylsulfonylchloridechloro(4-methoxy-2,3,6-trimethylphenyl)sulfone(4-methoxy-2,3,6-trimethylphenyl)sulfonylchloride

REACTIONS

参与反应

45 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08106055B2

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uspto-grants-2001_02 · 10.6084/m9.figshare.5104873.v1 · US06194409B1

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uspto-grants-2001_02 · 10.6084/m9.figshare.5104873.v1 · US06194409B1

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uspto-grants-2001_02 · 10.6084/m9.figshare.5104873.v1 · US06194409B1

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uspto-grants-2001_02 · 10.6084/m9.figshare.5104873.v1 · US06194409B1

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