111992-16-6
2-(2,4-DICHLOROPHENYL)-4-(DIFLUOROMETHYL)-2,4-DIHYDRO-5-METHYL-3H-1,2,4-TRIAZOL-3-ONE
Name2-(2,4-DICHLOROPHENYL)-4-(DIFLUOROMETHYL)-2,4-DIHYDRO-5-METHYL-3H-1,2,4-TRIAZOL-3-ONE
FormulaC10 H7 Cl2 F2 N3 O
1Identification
【Name】
2-(2,4-DICHLOROPHENYL)-4-(DIFLUOROMETHYL)-2,4-DIHYDRO-5-METHYL-3H-1,2,4-TRIAZOL-3-ONE
【CAS】
【MDL】
MFCD09834052
【English Synonyms】
【Formula】
C10 H7 Cl2 F2 N3 O
【MolWeight】
294.087
【Inchi】
InChI=1S/C10H7Cl2F2N3O/c1-5-15-17(10(18)16(5)9(13)14)8-3-2-6(11)4-7(8)12/h2-4,9H,1H3
【InChIKey】
InChIKey=XNMSYRWOPSLMRJ-UHFFFAOYSA-N
【SMILES】
Cc1nn(c(=O)n1C(F)F)c2ccc(cc2Cl)Cl
【MOL File】
2-(2,4-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,4-DICHLOROPHENYL)-4-(DIFLUOROMETHYL)-2,4-DIHYDRO-5-METHYL-3H-1,2,4-TRIAZOL-3-ONE.cml