4,5,6,7-四氟-2-甲基苯并[B]呋喃-3-甲酸乙酯结构式

4,5,6,7-四氟-2-甲基苯并[B]呋喃-3-甲酸乙酯
中文名称:4,5,6,7-四氟-2-甲基苯并[B]呋喃-3-甲酸乙酯
英文名称:ethyl 4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxylate
CAS No.:3265-71-2
分子式:C12H8O3F4 分子量:276.18372
4,5,6,7-四氟-2-甲基苯并[B]呋喃-3-甲酸乙酯 数据
Mol:
  0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0598    5.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0598    3.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4194    3.0607    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4194    6.2007    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001    7.7707    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9808    6.2007    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  2  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  4  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END                                
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4,5,6,7-四氟-2-甲基苯并[B]呋喃-3-甲酸乙酯 Smile 编码:
CC1=C(C(OCC)=O)C2C(F)=C(F)C(F)=C(F)C=2O1
4,5,6,7-四氟-2-甲基苯并[B]呋喃-3-甲酸乙酯 InChi 编码:
InChI=1S/C12H8F4O3/c1-3-18-12(17)5-4(2)19-11-6(5)7(13)8(14)9(15)10(11)16/h3H2,1-2H3
4,5,6,7-四氟-2-甲基苯并[B]呋喃-3-甲酸乙酯 InChiKey 编码:
FLVYOTVMIFECHQ-UHFFFAOYSA-N