1-(3-氯苯基)双胍盐酸盐结构式

中文名称:1-(3-氯苯基)双胍盐酸盐
英文名称:1-(3-Chlorophenyl)biguanide hydrochloride
CAS No.:2113-05-5
分子式:C8H11Cl2N5 分子量:248.1124
1-(3-氯苯基)双胍盐酸盐 数据
Mol:
0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    2.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    4.7100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    2.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7100    0.0000 N   0  0  0  0  0  0  0  0  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  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END                                
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1-(3-氯苯基)双胍盐酸盐 Smile 编码:
Cl.ClC1=CC=CC(NC(NC(N)=N)=N)=C1
1-(3-氯苯基)双胍盐酸盐 InChi 编码:
1S/C8H10ClN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
1-(3-氯苯基)双胍盐酸盐 InChiKey 编码:
FOWAIJYHRWFTHR-UHFFFAOYSA-N