141079-01-8
3-(4-CHLOROPHENYL)-5-((4-METHYLPHENOXY)METHYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE
Name3-(4-CHLOROPHENYL)-5-((4-METHYLPHENOXY)METHYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE
1Identification
【Name】
3-(4-CHLOROPHENYL)-5-((4-METHYLPHENOXY)METHYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678647
【English Synonyms】
【Formula】
C23 H20 Cl N3 O
【MolWeight】
389.884
【Inchi】
InChI=1S/C23H20ClN3O/c1-16-3-11-20(12-4-16)27-22(15-28-21-13-5-17(2)6-14-21)25-26-23(27)18-7-9-19(24)10-8-18/h3-14H,15H2,1-2H3
【InChIKey】
InChIKey=IGDFWKMEHWRDCM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(nnc2c3ccc(cc3)Cl)COc4ccc(cc4)C
【MOL File】
3-(4-CHLOROPHENYL)-5….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
3-(4-CHLOROPHENYL)-5-((4-METHYLPHENOXY)METHYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE.cml