51856-20-3
1,2-DIHYDRO-2-METHYL-5-(TRIFLUOROMETHYL)-3H-1,2,4-TRIAZOL-3-ONE
Name1,2-DIHYDRO-2-METHYL-5-(TRIFLUOROMETHYL)-3H-1,2,4-TRIAZOL-3-ONE
1Identification
【Name】
1,2-DIHYDRO-2-METHYL-5-(TRIFLUOROMETHYL)-3H-1,2,4-TRIAZOL-3-ONE
【CAS】
【MDL】
MFCD18827559
【English Synonyms】
【Formula】
C4 H4 F3 N3 O
【MolWeight】
167.09
【Inchi】
InChI=1S/C4H4F3N3O/c1-10-3(11)8-2(9-10)4(5,6)7/h1H3,(H,8,9,11)
【InChIKey】
InChIKey=SENNXJYRSAWMFX-UHFFFAOYSA-N
【SMILES】
Cn1c(=O)nc([nH]1)C(F)(F)F
【MOL File】
1,2-DIHYDRO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIHYDRO-2-METHYL-5-(TRIFLUOROMETHYL)-3H-1,2,4-TRIAZOL-3-ONE.cml