554436-93-0
5-PHENYL-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
Name5-PHENYL-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
pro_formulaC16 H10 F3 N3 O2
1Identification
【Name】
5-PHENYL-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03987252
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H10 F3 N3 O2
【pro_molWeight】
333.268
【Inchi】
InChI=1S/C16H10F3N3O2/c17-16(18,19)11-7-4-8-12(9-11)22-14(10-5-2-1-3-6-10)20-13(21-22)15(23)24/h1-9H,(H,23,24)
【InChIKey】
InChIKey=CDDQIXKYTYICSM-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2nc(nn2c3cccc(c3)C(F)(F)F)C(=O)O
【MOL File】
5-PHENYL-1-(3-TRIFLU….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-PHENYL-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID.cml