4-((Dimethylamino)methyl)-6-nitro-2-phenyl-5-benzofuranol hydrochloride

(5-hydroxy-6-nitro-2-phenyl-1-benzofuran-4-yl)methyl-dimethylazanium chloride

CAS: 63112-48-1

Molecular Formula	`C17H17ClN2O4`
Molecular Weight	348.8 g/mol
Topological Polar Surface Area	83.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	348.08768
Heavy Atoms	24
Complexity	419.0

Chemical Identifiers

CAS Number	63112-48-1
SMILES	`C[NH+](C)CC1=C(C(=CC2=C1C=C(O2)C3=CC=CC=C3)[N+](=O)[O-])O.[Cl-]`
InChIKey	`KMVPIIAKAGYKOV-UHFFFAOYSA-N`

📖 Product Overview

4-((Dimethylamino)methyl)-6-nitro-2-phenyl-5-benzofuranol hydrochloride (CAS: 63112-48-1) is a chemical compound with molecular formula C17H17ClN2O4 and molecular weight 348.8 g/mol. Its IUPAC systematic name is (5-hydroxy-6-nitro-2-phenyl-1-benzofuran-4-yl)methyl-dimethylazanium chloride. Topological Polar Surface Area 83.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 348.08768 Heavy Atoms 24 Complexity 419.0 InChI Key: KMVPIIAKAGYKOV-UHFFFAOYSA-N. SMILES: C[NH+](C)CC1=C(C(=CC2=C1C=C(O2)C3=CC=CC=C3)[N+](=O)[O-])O.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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