107595-37-9
3-(3,4-DIMETHOXYPHENYL)-5-(2-METHYLPHENYL)-1H-1,2,4-TRIAZOLE
Name3-(3,4-DIMETHOXYPHENYL)-5-(2-METHYLPHENYL)-1H-1,2,4-TRIAZOLE
1Identification
【Name】
3-(3,4-DIMETHOXYPHENYL)-5-(2-METHYLPHENYL)-1H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678669
【English Synonyms】
【Formula】
C17 H17 N3 O2
【MolWeight】
295.34
【Inchi】
InChI=1S/C17H17N3O2/c1-11-6-4-5-7-13(11)17-18-16(19-20-17)12-8-9-14(21-2)15(10-12)22-3/h4-10H,1-3H3,(H,18,19,20)
【InChIKey】
InChIKey=YFKLMVOMGHMZHE-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1c2[nH]nc(n2)c3ccc(c(c3)OC)OC
【MOL File】
3-(3,4-DIMETHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3,4-DIMETHOXYPHENYL)-5-(2-METHYLPHENYL)-1H-1,2,4-TRIAZOLE.cml