Vitas-M small molecule compound
3-(3-chloro-1H-1,2,4-triazol-5-yl)benzoic acid
Catalog ID
STK942237
SMILES Clc1n[nH]c(n1)c1cccc(c1)C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C9H6ClN3O2 MW 223.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H6ClN3O2/c10-9-11-7(12-13-9)5-2-1-3-6(4-5)8(14)15/h1-4H,(H,14,15)(H,11,12,13)InChIKey
KRNKCMLPKRDEFE-UHFFFAOYSA-NSynonyms
1219549-02-61219549026
3(3chloro1H124triazol5yl)benzoicacid
3(5chloro1H124triazol3yl)benzoicacid
C1=CC(=CC(=C1)C(=O)O)C2=NNC(=N2)Cl
Clc1n(nH)c(n1)c1cccc(c1)C(=O)O
InChI=1SC9H6ClN3O2c109117(12139)52136(45)8(14)15h14H(H1415)(H111213)
MFCD16090154
ZINC000040162982
ZINC40162982
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