3-溴-6-苯基二苯并呋喃结构式

3-溴-6-苯基二苯并呋喃
中文名称:3-溴-6-苯基二苯并呋喃
英文名称:3-bromo-6-phenyl-Dibenzofuran
CAS No.:2181786-99-0
分子式:C18H11BrO 分子量:323.183344125748
3-溴-6-苯基二苯并呋喃 数据
Mol:
 0  0  0  0  0  0  0  0  0  0  0  0
    1.7504    0.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1984    1.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4533    1.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603    1.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123    1.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    0.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8123   -0.8339    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  1  5  1  0      
  6  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9  2  2  0      
  6  3  2  0      
 10 11  1  0      
 11 12  2  0      
 12 13  1  0      
 13  4  2  0      
 10  5  2  0      
 14 15  1  0      
 15 16  2  0      
 16 17  1  0      
 17 18  2  0      
 18 19  1  0      
 14 19  2  0      
 10 14  1  0      
  8 20  1  0      
M  END                                
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3-溴-6-苯基二苯并呋喃 Smile 编码:
O1C2=C(C3=CC=CC=C3)C=CC=C2C2=CC=C(Br)C=C12
3-溴-6-苯基二苯并呋喃 InChi 编码:
1S/C18H11BrO/c19-13-9-10-15-16-8-4-7-14(12-5-2-1-3-6-12)18(16)20-17(15)11-13/h1-11H
3-溴-6-苯基二苯并呋喃 InChiKey 编码:
OLLFKVURPJLOSU-UHFFFAOYSA-N