当前位置: 首页 » 资料 » 化学物质数据库 » 3-nitro-1-(pyridin-2-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-

3-nitro-1-(pyridin-2-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:0
摘 要: 3-nitro-1-(pyridin-2-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol,Canonical SMILES: C1CCC2=C(C1)C3=C(O2)C=C(C(=C3C=NC4=CC=CC=N4)O)[N+](=O)[O-],InChI: InChI=1/C18H15N3O4/c22-18-12(10-20-16-7-3-4-8-19-16)17-11-5-1-2-6-14(11),25-15(17)9-13(18)21(
[Synonyms]

[Structure]
 3-nitro-1-(pyridin-2-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-

[ Properties Computed from Structure]
Molecular Weight337.3294 [g/mol]
Molecular FormulaC18H15N3O4
XLogP3.8
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count2
Tautomer Count6
Exact Mass337.106256
MonoIsotopic Mass337.106256
Topological Polar Surface Area102
Heavy Atom Count25
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-nitro-1-(pyridin-2-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
Canonical SMILES: C1CCC2=C(C1)C3=C(O2)C=C(C(=C3C=NC4=CC=CC=N4)O)[N+](=O)[O-]
InChI: InChI=1/C18H15N3O4/c22-18-12(10-20-16-7-3-4-8-19-16)17-11-5-1-2-6-14(11)
25-15(17)9-13(18)21(23)24/h3-4,7-10,22H,1-2,5-6H2/b20-10+

 
本文导航:
  • (1) 3-nitro-1-(pyridin-2-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注