Vitas-M small molecule compound
2-(2-bromo-2-cyanoethyl)benzoic acid
Catalog ID
STK952023
SMILES N#CC(Cc1ccccc1C(=O)O)Br
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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 C10H8BrNO2 MW 254.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8BrNO2/c11-8(6-12)5-7-3-1-2-4-9(7)10(13)14/h1-4,8H,5H2,(H,13,14)InChIKey
PMHIIOOSCAMFST-UHFFFAOYSA-NSynonyms
315240-84-72(2bromo2cyanoethyl)benzoicacid
315240847
C1=CC=C(C(=C1)CC(C#N)Br)C(=O)O
InChI=1SC10H8BrNO2c118(612)5731249(7)10(13)14h148H5H2(H1314)
MFCD02328454
ZINC000000086615
ZINC000000086617
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