141079-06-3
4,5-BIS(4-METHYLPHENYL)-3-((4-CHLORO-3-METHYLPHENOXY)METHYL)-4H-1,2,4-TRIAZOLE
Name4,5-BIS(4-METHYLPHENYL)-3-((4-CHLORO-3-METHYLPHENOXY)METHYL)-4H-1,2,4-TRIAZOLE
1Identification
【Name】
4,5-BIS(4-METHYLPHENYL)-3-((4-CHLORO-3-METHYLPHENOXY)METHYL)-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678684
【English Synonyms】
【Formula】
C24 H22 Cl N3 O
【MolWeight】
403.911
【Inchi】
InChI=1S/C24H22ClN3O/c1-16-4-8-19(9-5-16)24-27-26-23(28(24)20-10-6-17(2)7-11-20)15-29-21-12-13-22(25)18(3)14-21/h4-14H,15H2,1-3H3
【InChIKey】
InChIKey=VENINOCWWBMLFO-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2nnc(n2c3ccc(cc3)C)COc4ccc(c(c4)C)Cl
【MOL File】
4,5-BIS(4-METHYLPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,5-BIS(4-METHYLPHENYL)-3-((4-CHLORO-3-METHYLPHENOXY)METHYL)-4H-1,2,4-TRIAZOLE.cml