Vitas-M small molecule compound

(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoic acid

Catalog ID
STK053601
SMILES OC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C9H6ClNO4 MW 227.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)/b4-2+
InChIKey
QBDALTIMHOITIU-DUXPYHPUSA-N
Synonyms
20797-48-2
(2E)3(4CHLORO3NITROPHENYL)2PROPENOICACID
(2E)3(4CHLORO3NITROPHENYL)PROP2ENOICACID
(E)3(4CHLORO3NITROPHENYL)ACRYLICACID
(E)3(4CHLORO3NITROPHENYL)PROP2ENOICACID
20797482
2PROPENOICACID3(4CHLORO3NITROPHENYL)(2E)
3(4CHLORO3NITROPHENYL)ACRYLICACID
3(4CHLORO3NITROPHENYL)PROP2ENOICACID
3(4CHLORO3NITROPHENYL)PROPENOICACID
3NITRO4CHLOROCINNAMICACID
4CHLORO3NITROCINNAMICACID
C1=CC(=C(C=C1C=CC(=O)O)(N+)(=O)(O))Cl
InChI=1SC9H6ClNO4c107316(249(12)13)58(7)11(14)15h15H(H1213)b42+
MFCD00063311
OC(=O)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
STK053601
TRANS4CHLORO3NITROCINNAMICACID
ZINC000000056679
ZINC56679

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Available files

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