4,7-二溴-2-(2-丁基辛基)-5,6-二氟-2H-苯并三唑结构式

中文名称:4,7-二溴-2-(2-丁基辛基)-5,6-二氟-2H-苯并三唑
英文名称:4,7-Dibromo-2-(2-butyloctyl)-5,6-difluorobenzotriazole
CAS No.:1283099-24-0
分子式:C18H25Br2F2N3 分子量:481.2160
4,7-二溴-2-(2-丁基辛基)-5,6-二氟-2H-苯并三唑 数据
Mol:
0  0  0
   11.6279   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6 19  2  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END                                
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4,7-二溴-2-(2-丁基辛基)-5,6-二氟-2H-苯并三唑 Smile 编码:
BrC1=C(C(=C(C2C1=NN(CC(CCCC)CCCCCC)N=2)Br)F)F
4,7-二溴-2-(2-丁基辛基)-5,6-二氟-2H-苯并三唑 InChi 编码:
1S/C18H25Br2F2N3/c1-3-5-7-8-10-12(9-6-4-2)11-25-23-17-13(19)15(21)16(22)14(20)18(17)24-25/h12H,3-11H2,1-2H3
4,7-二溴-2-(2-丁基辛基)-5,6-二氟-2H-苯并三唑 InChiKey 编码:
YUIYJUAMLBSXOQ-UHFFFAOYSA-N