141078-93-5
3-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
Name3-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
1Identification
【Name】
3-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678648
【English Synonyms】
【Formula】
C22 H18 Cl N3 O
【MolWeight】
375.857
【Inchi】
InChI=1S/C22H18ClN3O/c1-16-7-13-19(14-8-16)26-21(15-27-20-5-3-2-4-6-20)24-25-22(26)17-9-11-18(23)12-10-17/h2-14H,15H2,1H3
【InChIKey】
InChIKey=HADQMNWSGVMPFX-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(nnc2c3ccc(cc3)Cl)COc4ccccc4
【MOL File】
3-(4-CHLOROPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE.cml