2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate 2,3,4,5,6-五氟苯基4-甲基苯磺酸盐
CAS 2069-36-5 MFCD00060056
化学结构图
SMILES: Cc1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1
化学属性
| Mol. Formula | C13H7F5O3S |
|---|---|
| Mol. Weight | 338.25 |
| Melting Point | 65-67 °C |
| Boiling Point | 372.9±42.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate |
|---|---|
| Alfabeta Name | PENTAFLUOROPHENYLMETHYLBENZENESULFONATE 234564--,,,, |
| MDL Number | MFCD00060056 |
| CAS Number | 2069-36-5 |
| Chemical Name Translation | 2,3,4,5,6-五氟苯基4-甲基苯磺酸盐 |
| LabNetwork Molecule ID | LN00146501 |
| PubChem Substance ID | 639958 |
| InChI | InChI=1S/C13H7F5O3S/c1-6-2-4-7(5-3-6)22(19,20)21-13-11(17)9(15)8(14)10(16)12(13)18/h2-5H,1H3 |
| Synonym | 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {} {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorophenyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F |
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分类
- {KO} PFP Esters
安全信息
药物吸收、分布、代谢与排泄(ADME)
H-bond Acceptors
3
Rotatable Bonds
3
H-bond Donors
0
