141078-95-7
3-(2,4-DICHLOROPHENYL)-4-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
Name3-(2,4-DICHLOROPHENYL)-4-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
pro_formulaC22 H17 Cl2 N3 O
1Identification
【Name】
3-(2,4-DICHLOROPHENYL)-4-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678665
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H17 Cl2 N3 O
【pro_molWeight】
410.302
【Inchi】
InChI=1S/C22H17Cl2N3O/c1-15-7-10-17(11-8-15)27-21(14-28-18-5-3-2-4-6-18)25-26-22(27)19-12-9-16(23)13-20(19)24/h2-13H,14H2,1H3
【InChIKey】
InChIKey=KDEMFGLZHRTUIH-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(nnc2c3ccc(cc3Cl)Cl)COc4ccccc4
【MOL File】
3-(2,4-DICHLOROPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(2,4-DICHLOROPHENYL)-4-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE.cml