141079-12-1
4-(3-CHLORO-4-FLUOROPHENYL)-3-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
Name4-(3-CHLORO-4-FLUOROPHENYL)-3-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
pro_formulaC22 H17 Cl F N3 O
1Identification
【Name】
4-(3-CHLORO-4-FLUOROPHENYL)-3-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01678682
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H17 Cl F N3 O
【pro_molWeight】
393.847
【Inchi】
InChI=1S/C22H17ClFN3O/c1-15-7-9-16(10-8-15)22-26-25-21(14-28-18-5-3-2-4-6-18)27(22)17-11-12-20(24)19(23)13-17/h2-13H,14H2,1H3
【InChIKey】
InChIKey=ALWNOJZEHVQWJO-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2nnc(n2c3ccc(c(c3)Cl)F)COc4ccccc4
【MOL File】
4-(3-CHLORO-4-FLUORO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(3-CHLORO-4-FLUOROPHENYL)-3-(4-METHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE.cml