Vitas-M small molecule compound

2-(4-methyl-2-nitrophenoxy)butanoyl chloride

Catalog ID
STL197305
SMILES CCC(C(=O)Cl)Oc1ccc(cc1[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 C11H12ClNO4 MW 257.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12ClNO4/c1-3-9(11(12)14)17-10-5-4-7(2)6-8(10)13(15)16/h4-6,9H,3H2,1-2H3
InChIKey
KGZQSORMRMLRPW-UHFFFAOYSA-N
Synonyms
1160257-46-4
1160257464
2(4methyl2nitrophenoxy)butanoylchloride
CCC(C(=O)Cl)OC1=C(C=C(C=C1)C)(N+)(=O)(O)
CCC(C(=O)Cl)Oc1ccc(cc1(N+)(=O)(O))C
InChI=1SC11H12ClNO4c139(11(12)14)1710547(2)68(10)13(15)16h469H3H212H3
MFCD12197826
ZINC000040451358
ZINC000040451359

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Available files

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