154080-21-4
methyl 2-[2-(3-fluoro-4-isothiocyanatophenoxymethyl)-5-methylphenoxy]propionate
Namemethyl 2-[2-(3-fluoro-4-isothiocyanatophenoxymethyl)-5-methylphenoxy]propionate
1Identification
【Name】
methyl 2-[2-(3-fluoro-4-isothiocyanatophenoxymethyl)-5-methylphenoxy]propionate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C19H18FNO4S
【MolWeight】
375.414
【Inchi】
InChI=1S/C19H18FNO4S/c1-12-4-5-14(18(8-12)25-13(2)19(22)23-3)10-24-15-6-7-17(21-11-26)16(20)9-15/h4-9,13H,10H2,1-3H3
【InChIKey】
InChIKey=MEPGPMJNAKKDID-UHFFFAOYSA-N
【SMILES】
FC=1C=C(OCC2=C(OC(C(=O)OC)C)C=C(C=C2)C)C=CC1N=C=S
【MOL File】
methyl 2-[2-(3-fluor….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
methyl 2-[2-(3-fluoro-4-isothiocyanatophenoxymethyl)-5-methylphenoxy]propionate.cml