HETERONIUM BROMIDE

(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide

CAS: 7247-57-6

Molecular Formula	`C18H22BrNO3S`
Molecular Weight	412.3 g/mol
Topological Polar Surface Area	74.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	411.05038
Heavy Atoms	24
Complexity	436.0

Chemical Identifiers

CAS Number	7247-57-6
SMILES	`C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O)C.[Br-]`
InChIKey	`SHPIBZXFYWMQBR-UHFFFAOYSA-M`

📖 Product Overview

HETERONIUM BROMIDE (CAS: 7247-57-6) is a chemical compound with molecular formula C18H22BrNO3S and molecular weight 412.3 g/mol. Its IUPAC systematic name is (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide. Topological Polar Surface Area 74.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 411.05038 Heavy Atoms 24 Complexity 436.0 InChI Key: SHPIBZXFYWMQBR-UHFFFAOYSA-M. SMILES: C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O)C.[Br-].

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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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