1-氯吡喃[2,3,-B]苯并呋喃结构式

1-氯吡喃[2,3,-B]苯并呋喃
中文名称:1-氯吡喃[2,3,-B]苯并呋喃
英文名称:1-chloronaphtho[2,3-b]benzofuran
CAS No.:2170644-12-7
分子式:C16H9ClO 分子量:252.695063352585
1-氯吡喃[2,3,-B]苯并呋喃 数据
Mol:
.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2128    0.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3363   -0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1568   -0.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -0.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514   -1.4568    0.0000 Cl  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      
  7  8  1  0      
  8  9  2  0      
  9 10  1  0      
 10 11  2  0      
 11 12  1  0      
 12 13  2  0      
  6 13  1  0      
  8 13  1  0      
  6  4  2  0      
  7  5  2  0      
 14 15  1  0      
 15 16  2  0      
 16 17  1  0      
 17  2  2  0      
 14  3  2  0      
 14 18  1  0      
M  END
                                
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1-氯吡喃[2,3,-B]苯并呋喃 Smile 编码:
O1C2=CC3C(C=C2C2=C(Cl)C=CC=C12)=CC=CC=3
1-氯吡喃[2,3,-B]苯并呋喃 InChi 编码:
1S/C16H9ClO/c17-13-6-3-7-14-16(13)12-8-10-4-1-2-5-11(10)9-15(12)18-14/h1-9H
1-氯吡喃[2,3,-B]苯并呋喃 InChiKey 编码:
YNPIRTDONNKWJW-UHFFFAOYSA-N
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