144165-21-9
3-(3-FLUOROPHENYL)-4-METHYL-5-(METHYLSULFONYL)-1H-1,2,4-TRIAZOLE
Name3-(3-FLUOROPHENYL)-4-METHYL-5-(METHYLSULFONYL)-1H-1,2,4-TRIAZOLE
1Identification
【Name】
3-(3-FLUOROPHENYL)-4-METHYL-5-(METHYLSULFONYL)-1H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678600
【English Synonyms】
【Formula】
C10 H10 F N3 O2 S
【MolWeight】
255.272
【Inchi】
InChI=1S/C10H10FN3O2S/c1-14-9(7-4-3-5-8(11)6-7)12-13-10(14)17(2,15)16/h3-6H,1-2H3
【InChIKey】
InChIKey=ACCNZTYMXIOJDO-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1S(=O)(=O)C)c2cccc(c2)F
【MOL File】
3-(3-FLUOROPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-FLUOROPHENYL)-4-METHYL-5-(METHYLSULFONYL)-1H-1,2,4-TRIAZOLE.cml