77952-80-8
((1-(P-FLUOROBENZYL)-2-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)ACETONITRI LE
Name((1-(P-FLUOROBENZYL)-2-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)ACETONITRI LE
1Identification
【Name】
((1-(P-FLUOROBENZYL)-2-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)ACETONITRI LE
【CAS】
【MDL】
MFCD00605668
【English Synonyms】
【Formula】
C13 H11 F N4 O2 S
【MolWeight】
306.32
【Inchi】
InChI=1S/C13H11FN4O2S/c1-9-16-12(18(19)20)13(21-7-6-15)17(9)8-10-2-4-11(14)5-3-10/h2-5H,7-8H2,1H3
【InChIKey】
InChIKey=DGXCSLWXSPNDIJ-UHFFFAOYSA-N
【SMILES】
Cc1nc(c(n1Cc2ccc(cc2)F)SCC#N)[N+](=O)[O-]
【MOL File】
((1-(P-FLUOROBENZYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
((1-(P-FLUOROBENZYL)-2-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)ACETONITRI LE.cml