当前位置: 首页 » 资料 » 化学物质数据库 » 4-Trifluoromethylbenzoic acid, 2-pentadecyl ester pentadecan-2-yl 4-(t

4-Trifluoromethylbenzoic acid, 2-pentadecyl ester pentadecan-2-yl 4-(t

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要:4-Trifluoromethylbenzoic acid, 2-pentadecyl ester pentadecan-2-yl 4-(trifluoromethyl)benzoate,Canonical SMILES: CCCCCCCCCCCCCC(C)OC(=O)C1=CC=C(C=C1)C(F)(F)F,InChI: InChI=1/C23H35F3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(2)28-22(27)20-15-,17-21(18-16-20
[Synonyms]
4-Trifluoromethylbenzoic acid, 2-pentadecyl ester
[Structure]
4-Trifluoromethylbenzoic acid, 2-pentadecyl ester pentadecan-2-yl 4-(t

[ Properties Computed from Structure]
Molecular Weight400.51801 [g/mol]
Molecular FormulaC23H35F3O2
XLogP9.1
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count15
Exact Mass400.258915
MonoIsotopic Mass400.258915
Topological Polar Surface Area26.3
Heavy Atom Count28
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: pentadecan-2-yl 4-(trifluoromethyl)benzoate
Canonical SMILES: CCCCCCCCCCCCCC(C)OC(=O)C1=CC=C(C=C1)C(F)(F)F
InChI: InChI=1/C23H35F3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(2)28-22(27)20-15-
17-21(18-16-20)23(24,25)26/h15-19H,3-14H2,1-2H3

 
本文导航:
  • (1) 4-Trifluoromethylbenzoic acid, 2-pentadecyl ester pentadecan-2-yl 4-(t
  • 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