1005697-84-6
1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
Name1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
1Identification
【Name】
1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
【CAS】
【MDL】
【English Synonyms】
【Formula】
C11H7ClFN3S
【MolWeight】
267.71
【Inchi】
InChI=1S/C11H7ClFN3S/c12-9-2-1-3-10(13)8(9)6-16-5-4-11(15-16)14-7-17/h1-5H,6H2
【InChIKey】
InChIKey=MKXPGZKIAJYXIM-UHFFFAOYSA-N
【SMILES】
ClC1=C(C(=CC=C1)F)CN1N=C(C=C1)N=C=S
【MOL File】
1-[(2-chloro-6-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
1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole.cml