57532-84-0 (3,4-Dimethylbenzenesulfonyl fluoride,3,4-dimethylbenzene-1-sulfonyl fluoride)

CAS号:
57532-84-0
中文名称:
3,4-Dimethylbenzenesulfonyl fluoride
英文名称:
3,4-dimethylbenzene-1-sulfonyl fluoride
分子式:
C8H9FO2S
分子量:
188.219264745712

3,4-Dimethylbenzenesulfonyl fluoride(57532-84-0)名称与标识符

名称

中文别名:
3,4-Dimethylbenzenesulfonyl fluoride;
英文别名:
3,4-dimethylbenzenesulfonyl Fluoride;3,4-Dimethylphenyloxirane;(3,4-Dimethylphenyl)oxirene;3,4-Dimethyl styrene oxide;(3,4-dimethyl-phenyl)-oxirane;3,4-Dimethylstyrene oxide;CCRIS 999;AC1Q2DTW;3,4-Dimethyl-styroloxid;3,4-Dimethyl-1-(1,2-epoxy-ethyl)-benzol;BRN 0116226;4-(Epoxyethyl)-1,2-xylene;1,2-Xylene, 4-(epoxyethyl)-;3,4-Dimethylphenylsulfonylfluorid;3,4-dimethylphenylsulfonyl fluoride;3,4-Dimethylphenyloxirane; (3,4-Dimethylphenyl)oxirene; 3,4-Dimethyl styrene oxide; (3,4-dimethyl-phenyl)-oxirane; 3,4-Dimethylstyrene oxide; CCRIS 999; AC1Q2DTW; 3,4-dimethylstyrene oxide; 3,4-Dimethyl-styroloxid; 3,4-Dimethyl-1-(1,2-epoxy-ethyl)-benzol; BRN 0116226; 4-(Epoxyethyl)-1,2-xylene; 1,2-Xylene, 4-(epoxyethyl)-; 3,4-Dimethylphenylsulfonylfluorid; 3,4-dimethylphenylsulfonyl fluoride;;3,4-dimethylbenzene-1-sulfonyl fluoride;AKOS006309251;BY-0028;EN300-224330;3,4-dimethylbenzene-1-sulfonylfluoride;57532-84-0;SCHEMBL10412670;

标识符

MDL:
MFCD11109204
InChIKey:
WCVRBSQUWGOVMC-UHFFFAOYSA-N
Inchi:
1S/C8H9FO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3
SMILES:
S(C1C=CC(C)=C(C)C=1)(=O)(=O)F

3,4-Dimethylbenzenesulfonyl fluoride(57532-84-0)物化性质

实验特性

  • PSA : 34.14

计算特性

  • 精确分子量 : 188.03077
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 188.03072886g/mol
  • 重原子数量 : 12
  • 复杂度 : 242
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3
  • 拓扑分子极性表面积 : 42.5Ų