Vitas-M small molecule compound

4-chloro-1-methyl-3,5-dinitro-1H-pyrazole

Catalog ID
STK332127
SMILES [O-][N+](=O)c1nn(c(c1Cl)[N+](=O)[O-])C

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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 C4H3ClN4O4 MW 206.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C4H3ClN4O4/c1-7-4(9(12)13)2(5)3(6-7)8(10)11/h1H3
InChIKey
VKCXIULUEMQTNL-UHFFFAOYSA-N
Synonyms
84547-96-6
(O)(N+)(=O)c1nn(c(c1Cl)(N+)(=O)(O))C
4chloro1methyl35dinitro1Hpyrazole
4CHLORO1METHYL35DINITROPYRAZOLE
4CHLORO35DINITRO1METHYL1HPYRAZOLE
84547966
CN1C(=C(C(=N1)(N+)(=O)(O))Cl)(N+)(=O)(O)
InChI=1SC4H3ClN4O4c174(9(12)13)2(5)3(67)8(10)11h1H3
MFCD00463991
ZINC000003894656
ZINC03894656
ZINC3894656

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Available files

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