680214-56-6
1-(2-(3-CHLORO-4-METHYLPHENYL)-6-[(DIETHOXYPHOSPHOROTHIOYL)OXY]PYRIMIDIN-4-YL)ACETONE
Name1-(2-(3-CHLORO-4-METHYLPHENYL)-6-[(DIETHOXYPHOSPHOROTHIOYL)OXY]PYRIMIDIN-4-YL)ACETONE
FormulaC18 H22 Cl N2 O4 P S
1Identification
【Name】
1-(2-(3-CHLORO-4-METHYLPHENYL)-6-[(DIETHOXYPHOSPHOROTHIOYL)OXY]PYRIMIDIN-4-YL)ACETONE
【CAS】
【MDL】
MFCD00220763
【English Synonyms】
【Formula】
C18 H22 Cl N2 O4 P S
【MolWeight】
428.875
【Inchi】
InChI=1S/C18H22ClN2O4PS/c1-5-23-26(27,24-6-2)25-17-11-15(9-13(4)22)20-18(21-17)14-8-7-12(3)16(19)10-14/h7-8,10-11H,5-6,9H2,1-4H3
【InChIKey】
InChIKey=VWCPDJRNBJSJMB-UHFFFAOYSA-N
【SMILES】
CCOP(=S)(OCC)Oc1cc(nc(n1)c2ccc(c(c2)Cl)C)CC(=O)C
【MOL File】
1-(2-(3-CHLORO-4-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(3-CHLORO-4-METHYLPHENYL)-6-[(DIETHOXYPHOSPHOROTHIOYL)OXY]PYRIMIDIN-4-YL)ACETONE.cml