860786-18-1
4-(3-FLUOROPHENYL)-2,5-DIMETHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Name4-(3-FLUOROPHENYL)-2,5-DIMETHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
1Identification
【Name】
4-(3-FLUOROPHENYL)-2,5-DIMETHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
【CAS】
【MDL】
MFCD03787603
【English Synonyms】
【Formula】
C10 H10 F N3 O
【MolWeight】
207.207
【Inchi】
InChI=1S/C10H10FN3O/c1-7-12-13(2)10(15)14(7)9-5-3-4-8(11)6-9/h3-6H,1-2H3
【InChIKey】
InChIKey=COXSGEKTFTUGHT-UHFFFAOYSA-N
【SMILES】
Cc1nn(c(=O)n1c2cccc(c2)F)C
【MOL File】
4-(3-FLUOROPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-FLUOROPHENYL)-2,5-DIMETHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE.cml