4-fluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide结构式

4-fluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide
中文名称:4-fluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide
英文名称:4-Fluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
CAS No.:1469930-84-4
分子式:C18H21BFNO4S 分子量:377.238047361374
4-fluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide 数据
Mol:
41    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9806    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0
  1  6  2  0
  1  7  1  0
  1 20  1  0
  2 25  1  0
  3  8  1  0
  3 26  1  0
  4  9  1  0
  4 26  1  0
  7 17  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  9 12  1  0
  9 13  1  0
 14 15  2  0
 14 16  1  0
 14 26  1  0
 15 18  1  0
 16 19  2  0
 17 18  2  0
 17 19  1  0
 20 21  2  0
 20 22  1  0
 21 23  1  0
 22 24  2  0
 23 25  2  0
 24 25  1  0
M  END                                
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4-fluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide Smile 编码:
S(C1C=CC(=CC=1)F)(NC1C=CC(B2OC(C)(C)C(C)(C)O2)=CC=1)(=O)=O
4-fluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide InChi 编码:
1S/C18H21BFNO4S/c1-17(2)18(3,4)25-19(24-17)13-5-9-15(10-6-13)21-26(22,23)16-11-7-14(20)8-12-16/h5-12,21H,1-4H3
4-fluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide InChiKey 编码:
MQCOAJIVRNEYIQ-UHFFFAOYSA-N