866153-20-0
DIETHYL 2-[[(3,4-DICHLOROBENZYL)SULFANYL](2-FLUOROANILINO)METHYLENE]MALONATE
NameDIETHYL 2-[[(3,4-DICHLOROBENZYL)SULFANYL](2-FLUOROANILINO)METHYLENE]MALONATE
FormulaC21 H20 Cl2 F N O4 S
1Identification
【Name】
DIETHYL 2-[[(3,4-DICHLOROBENZYL)SULFANYL](2-FLUOROANILINO)METHYLENE]MALONATE
【CAS】
【MDL】
MFCD05669456
【English Synonyms】
【Formula】
C21 H20 Cl2 F N O4 S
【MolWeight】
472.362
【Inchi】
InChI=1S/C21H20Cl2FNO4S/c1-3-28-20(26)18(21(27)29-4-2)19(25-17-8-6-5-7-16(17)24)30-12-13-9-10-14(22)15(23)11-13/h5-11,25H,3-4,12H2,1-2H3
【InChIKey】
InChIKey=LSVKCKSZJHDQJP-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(=C(Nc1ccccc1F)SCc2ccc(c(c2)Cl)Cl)C(=O)OCC
【MOL File】
DIETHYL 2-[[(3,4-DIC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL 2-[[(3,4-DICHLOROBENZYL)SULFANYL](2-FLUOROANILINO)METHYLENE]MALONATE.cml