507448-62-6
2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)-pyrimidine
Name2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)-pyrimidine
1Identification
【Name】
2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)-pyrimidine
【CAS】
【MDL】
【English Synonyms】
【Formula】
C11H5ClFN3OS
【MolWeight】
281.693
【Inchi】
InChI=1S/C11H5ClFN3OS/c12-7-4-8(13)9(16-6-18)5-10(7)17-11-14-2-1-3-15-11/h1-5H
【InChIKey】
InChIKey=PPSRFGFXHZWKTB-UHFFFAOYSA-N
【SMILES】
ClC1=C(OC2=NC=CC=N2)C=C(C(=C1)F)N=C=S
【MOL File】
2-(2-chloro-4-fluoro….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
2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)-pyrimidine.cml