ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
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Product Code | F508139 |
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Product Name | ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate |
Molecular weight | 217.65 |
IUPAC Name | ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate |
SMILES | CCOC(=O)CCCN1C=NC(Cl)=N1 |
INCHI Code | InChI=1S/C8H12ClN3O2/c1-2-14-7(13)4-3-5-12-6-10-8(9)11-12/h6H,2-5H2,1H3 |
Asymmetric atoms | 0 |
LogP | 1.1294959 |
H bond acceptors | 3 |
H bond donors | 0 |
fsp3 | 0.625 |
Concept Codes | Ester, Heterocycle, Heteroaromatic, Chloro, Halo, 5-Membered heteroaromatic, 5-Membered heterocycle, Cyclic, Aromatic, 1,2,4-Triazole |