tert-butyl (3-((2-chloro-5-(trifluoroMethyl)pyriMidin-4-yl)aMino)phenyl)carbaMate
化学名:tert-butyl (3-((2-chloro-5-(trifluoroMethyl)pyriMidin-4-yl)aMino)phenyl)carbaMate
CAS番号.1374507-23-9
英語名:tert-butyl (3-((2-chloro-5-(trifluoroMethyl)pyriMidin-4-yl)aMino)phenyl)carbaMate
CBNumberCB32684153
MFC16H16ClF3N4O2
MW388.77
MOL File1374507-23-9.mol
tert-butyl (3-((2-chloro-5-(trifluoroMethyl)pyriMidin-4-yl)aMino)phenyl)carbaMate物理性質
| 沸点 | 446.2±45.0 °C(Predicted) |
| 比重(密度) | 1.406±0.06 g/cm3(Predicted) |
| 酸解離定数(Pka) | 13.43±0.70(Predicted) |
| InChI | InChI=1S/C16H16ClF3N4O2/c1-15(2,3)26-14(25)23-10-6-4-5-9(7-10)22-12-11(16(18,19)20)8-21-13(17)24-12/h4-8H,1-3H3,(H,23,25)(H,21,22,24) |
| InChIKey | LEKSPBMQHCLAEB-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)NC1=CC=CC(NC2C(C(F)(F)F)=CN=C(Cl)N=2)=C1 |