当前位置: 首页 » 资料 » 化学物质数据库 » NSC262184,63656-12-2, methyl N-(3-chloropropyl)carbamate,Canonical SMI

NSC262184,63656-12-2, methyl N-(3-chloropropyl)carbamate,Canonical SMI

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:5
摘 要:NSC262184,63656-12-2, methyl N-(3-chloropropyl)carbamate,Canonical SMILES: COC(=O)NCCCCl,InChI: InChI=1/C5H10ClNO2/c1-9-5(8)7-4-2-3-6/h2-4H2,1H3,(H,7,8)/f/h7H,Molecular Weight151.5914 [g/mol]Molecular FormulaC5H10ClNO2XLogP1H-Bond Donor1H-Bond Accept
[Synonyms]
NSC262184
63656-12-2

[Structure]
NSC262184,63656-12-2, methyl N-(3-chloropropyl)carbamate,Canonical SMI

[ Properties Computed from Structure]
Molecular Weight151.5914 [g/mol]
Molecular FormulaC5H10ClNO2
XLogP1
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count2
Exact Mass151.040006
MonoIsotopic Mass151.040006
Topological Polar Surface Area38.3
Heavy Atom Count9
Formal Charge0
Complexity87
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: methyl N-(3-chloropropyl)carbamate
Canonical SMILES: COC(=O)NCCCCl
InChI: InChI=1/C5H10ClNO2/c1-9-5(8)7-4-2-3-6/h2-4H2,1H3,(H,7,8)/f/h7H

 
本文导航:
  • (1) NSC262184,63656-12-2, methyl N-(3-chloropropyl)carbamate,Canonical SMI
  • 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