111992-11-1
2-(4-BROMO-2-FLUORO-5-NITROPHENYL)-4-(DIFLUOROMETHYL)-2,4-DIHYDRO-5-METHYL-3H-1,2,4-TRIAZOL-3-ONE
Name2-(4-BROMO-2-FLUORO-5-NITROPHENYL)-4-(DIFLUOROMETHYL)-2,4-DIHYDRO-5-METHYL-3H-1,2,4-TRIAZOL-3-ONE
FormulaC10 H6 Br F3 N4 O3
1Identification
【Name】
2-(4-BROMO-2-FLUORO-5-NITROPHENYL)-4-(DIFLUOROMETHYL)-2,4-DIHYDRO-5-METHYL-3H-1,2,4-TRIAZOL-3-ONE
【CAS】
【MDL】
MFCD16251090
【English Synonyms】
【Formula】
C10 H6 Br F3 N4 O3
【MolWeight】
367.08
【Inchi】
InChI=1S/C10H6BrF3N4O3/c1-4-15-17(10(19)16(4)9(13)14)8-3-7(18(20)21)5(11)2-6(8)12/h2-3,9H,1H3
【InChIKey】
InChIKey=VAFDVJVPVDZHRK-UHFFFAOYSA-N
【SMILES】
Cc1nn(c(=O)n1C(F)F)c2cc(c(cc2F)Br)[N+](=O)[O-]
【MOL File】
2-(4-BROMO-2-FLUORO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-BROMO-2-FLUORO-5-NITROPHENYL)-4-(DIFLUOROMETHYL)-2,4-DIHYDRO-5-METHYL-3H-1,2,4-TRIAZOL-3-ONE.cml