Vitas-M small molecule compound

2-chloro-4-(4H-1,2,4-triazol-4-yl)benzoic acid

Catalog ID
STK667535
SMILES OC(=O)c1ccc(cc1Cl)n1cnnc1

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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/c10-8-3-6(13-4-11-12-5-13)1-2-7(8)9(14)15/h1-5H,(H,14,15)
InChIKey
QCFSKUCISZXKOB-UHFFFAOYSA-N
Synonyms
842977-29-1
2CHLORO4(124)TRIAZOL4YLBENZOICACID
2CHLORO4(124TRIAZOL4YL)BENZOICACID
2chloro4(4H124triazol4yl)benzoicacid
842977291
C1=CC(=C(C=C1N2C=NN=C2)Cl)C(=O)O
InChI=1SC9H6ClN3O2c10836(1341112513)127(8)9(14)15h15H(H1415)
MFCD06809616
ZINC000004342590
ZINC4342590

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.