HCID18952491

3-(Chlorosulfonyl)-5-(trifluoromethyl)benzoic acid

3-chlorosulfonyl-5-(trifluoromethyl)benzoic acid

C8H4ClF3O4S288.63 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cc(C(F)(F)F)cc(S(=O)(=O)Cl)c1
InChIKey: CWBQFMSCOCJRDV-UHFFFAOYSA-N
分子式: C8H4ClF3O4S
平均分子量: 288.63 g/mol
单同位素质量: 287.947092

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 79.8 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 400

ALIASES

名称与别名

共 7 条

MFCD1292295653604-84-53-chlorosulfonyl-5-(trifluoromethyl)benzoic acid3-(Chlorosulfonyl)-5-(trifluoromethyl)benzoic acid3-chlorosulfonyl-5-trifluoromethylbenzoic acidSCHEMBL53636653-(Trifluoromethyl)-5-(chlorosulfonyl)benzoic acid

REACTIONS

参与反应

4 条

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 (3/10) · 10.1039/C8SC04228D

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uspto-grants-2007_01 · 10.6084/m9.figshare.5104873.v1 · US07166598B2

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uspto-grants-2007_01 · 10.6084/m9.figshare.5104873.v1 · US07166598B2

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