5-​(3-​溴苯基)​-​4.​6-​二氯-嘧啶结构式

5-​(3-​溴苯基)​-​4.​6-​二氯-嘧啶
中文名称:5-​(3-​溴苯基)​-​4.​6-​二氯-嘧啶
英文名称:5-(3-Bromophenyl)-4,6-dichloropyrimidine
CAS No.:1532412-37-5
分子式:C10H5BrCl2N2 分子量:303.9701
5-​(3-​溴苯基)​-​4.​6-​二氯-嘧啶 数据
Mol:
00 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278   -1.8608    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6179   -3.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -3.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7549   -3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2693   -0.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4 15  2  0  0  0  0
  5  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  2  0  0  0  0
 13 14  2  0  0  0  0
 14 12  1  0  0  0  0
 15  6  1  0  0  0  0
M  END                                
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5-​(3-​溴苯基)​-​4.​6-​二氯-嘧啶 Smile 编码:
C1(Cl)N=CN=C(Cl)C=1C1C=CC=C(Br)C=1
5-​(3-​溴苯基)​-​4.​6-​二氯-嘧啶 InChi 编码:
1S/C10H5BrCl2N2/c11-7-3-1-2-6(4-7)8-9(12)14-5-15-10(8)13/h1-5H
5-​(3-​溴苯基)​-​4.​6-​二氯-嘧啶 InChiKey 编码:
MCMBVOPBEUYCBU-UHFFFAOYSA-N