当前位置: 首页 » 资料 » 化学物质数据库 » NSC48745,4609-47-6, ethyl 5-(3-bromophenyl)thiadiazole-4-carboxylate,C

NSC48745,4609-47-6, ethyl 5-(3-bromophenyl)thiadiazole-4-carboxylate,C

放大字体  缩小字体 更新日期:2018-02-03  浏览次数:2
摘 要:NSC48745,4609-47-6, ethyl 5-(3-bromophenyl)thiadiazole-4-carboxylate,Canonical SMILES: CCOC(=O)C1=C(SN=N1)C2=CC(=CC=C2)Br,InChI: InChI=1/C11H9BrN2O2S/c1-2-16-11(15)9-10(17-14-13-9)7-4-3-5-8(12)6-7/h3-,6H,2H2,1H3,Molecular Weight313.17036 [g/mol]Molec
[Synonyms]
NSC48745
4609-47-6

[Structure]
NSC48745,4609-47-6, ethyl 5-(3-bromophenyl)thiadiazole-4-carboxylate,C

[ Properties Computed from Structure]
Molecular Weight313.17036 [g/mol]
Molecular FormulaC11H9BrN2O2S
XLogP4.5
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass311.956811
MonoIsotopic Mass311.956811
Topological Polar Surface Area52.1
Heavy Atom Count17
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl 5-(3-bromophenyl)thiadiazole-4-carboxylate
Canonical SMILES: CCOC(=O)C1=C(SN=N1)C2=CC(=CC=C2)Br
InChI: InChI=1/C11H9BrN2O2S/c1-2-16-11(15)9-10(17-14-13-9)7-4-3-5-8(12)6-7/h3-
6H,2H2,1H3

 
本文导航:
  • (1) NSC48745,4609-47-6, ethyl 5-(3-bromophenyl)thiadiazole-4-carboxylate,C
  • 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