1-(2-氯-5-甲基-4-(甲基磺酰基)苯基)哌啶-4-羧酸
英文名称:1-[2-Chloro-5-methyl-4-(methylsulfonyl)phenyl]piperidine-4-carboxylic acid
CAS号:942474-74-0
分子式:C14H18ClNO4S
分子量:331.82
EINECS号:
Mol文件:Mol File
1-(2-氯-5-甲基-4-(甲基磺酰基)苯基)哌啶-4-羧酸 性质
| 熔点 | 238-241°C |
|---|---|
| 沸点 | 594.1±50.0 °C(Predicted) |
| 密度 | 1.360±0.06 g/cm3(Predicted) |
| 形态 | solid |
| 酸度系数(pKa) | 4.48±0.20(Predicted) |
| InChI | 1S/C14H18ClNO4S/c1-9-7-12(11(15)8-13(9)21(2,19)20)16-5-3-10(4-6-16)14(17)18/h7-8,10H,3-6H2,1-2H3,(H,17,18) |
| InChIKey | FRBJGKLPVTXBFB-UHFFFAOYSA-N |
| SMILES | Cc1cc(N2CCC(CC2)C(O)=O)c(Cl)cc1S(C)(=O)=O |
