5-Ethyl-1-(3-(trifluoromethyl)benzyl)-1H-1,2,3-triazole-4-carboxylic acid
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Product Code | F725381 |
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Product Name | 5-Ethyl-1-(3-(trifluoromethyl)benzyl)-1H-1,2,3-triazole-4-carboxylic acid |
CAS | 1338658-52-8 |
Purity | 98% |
Molecular weight | 299.253 |
IUPAC Name | 5-ethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
SMILES | CCC1=C(N=NN1CC1=CC(=CC=C1)C(F)(F)F)C(O)=O |
INCHI Code | InChI=1S/C13H12F3N3O2/c1-2-10-11(12(20)21)17-18-19(10)7-8-4-3-5-9(6-8)13(14,15)16/h3-6H,2,7H2,1H3,(H,20,21) |
Asymmetric atoms | 0 |
LogP | 3.3880687 |
H bond acceptors | 4 |
H bond donors | 1 |
fsp3 | 0.30769232 |
Concept Codes | Phenyl, Carboxylic acid, Heterocycle, Heteroaromatic, Fluoro, Halo, Ethyl, Trifluoromethyl, 5-Membered heteroaromatic, 5-Membered heterocycle, Monosubstituted (meta) trifluoromethylbenzene, Cyclic, Aromatic, 1,2,3-Triazole, PFA01, PFA02 |