1-氯-4-(异丙基-d7)-酞嗪结构式

1-氯-4-(异丙基-d7)-酞嗪
中文名称:1-氯-4-(异丙基-d7)-酞嗪
英文名称:1-Chloro-4-(iso-propyl-d7)-phthalazine
CAS No.:1185315-16-5
分子式:C11H4D7ClN2 分子量:213.71
1-氯-4-(异丙基-d7)-酞嗪 数据
Mol:
 H   1  0  0  0  0  0  0  0  0  0  0  0
   -1.2949   -0.1581    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   -1.1919    1.4858    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   -2.0176    0.7135    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   -0.7815    2.0226    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.2023    2.5830    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.8190    1.6334    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -2.5830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  2  0      
  3  4  1  0      
  4  5  2  0      
  5  6  1  0      
  6  7  2  0      
  7  8  1  0      
  8  9  2  0      
  9 10  1  0      
  1 10  2  0      
  5 10  1  0      
 11 12  1  0      
 11 13  1  0      
 11 14  1  0      
 12 15  1  0      
 12 16  1  0      
 12 17  1  0      
 13 18  1  0      
 13 19  1  0      
 13 20  1  0      
  4 11  1  0      
  1 21  1  0      
M  ISO  7  14   2  15   2  16   2  17   2  18   2  19   2  20   2
M  END                                
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1-氯-4-(异丙基-d7)-酞嗪 Smile 编码:
C1(Cl)=C2C(C=CC=C2)=C(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])N=N1
1-氯-4-(异丙基-d7)-酞嗪 InChi 编码:
1S/C11H11ClN2/c1-7(2)10-8-5-3-4-6-9(8)11(12)14-13-10/h3-7H,1-2H3/i1D3,2D3,7D
1-氯-4-(异丙基-d7)-酞嗪 InChiKey 编码:
BPUJDZFCAPBPOT-QXMYYZBZSA-N