860650-96-0
4-(4-FLUOROPHENYL)-5-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Name4-(4-FLUOROPHENYL)-5-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
1Identification
【Name】
4-(4-FLUOROPHENYL)-5-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
【CAS】
【MDL】
MFCD03787254
【English Synonyms】
【Formula】
C9 H8 F N3 O
【MolWeight】
193.18
【Inchi】
InChI=1S/C9H8FN3O/c1-6-11-12-9(14)13(6)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,14)
【InChIKey】
InChIKey=BATKZKFLRJTOLB-UHFFFAOYSA-N
【SMILES】
Cc1n[nH]c(=O)n1c2ccc(cc2)F
【MOL File】
4-(4-FLUOROPHENYL)-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-FLUOROPHENYL)-5-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE.cml