(2-ethylisoquinolin-2-ium-5-yl) acetate bromide

CAS: 16232-80-7

Molecular Formula	`C13H14BrNO2`
Molecular Weight	296.16 g/mol
Topological Polar Surface Area	30.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	295.02078
Heavy Atoms	17
Complexity	254.0

Chemical Identifiers

CAS Number	16232-80-7
SMILES	`CC[N+]1=CC2=C(C=C1)C(=CC=C2)OC(=O)C.[Br-]`
InChIKey	`DQQDMAYZPICFMH-UHFFFAOYSA-M`

📖 Product Overview

(2-ethylisoquinolin-2-ium-5-yl) acetate bromide (CAS: 16232-80-7) is a chemical compound with molecular formula C13H14BrNO2 and molecular weight 296.16 g/mol. Its IUPAC systematic name is (2-ethylisoquinolin-2-ium-5-yl) acetate bromide. Topological Polar Surface Area 30.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 295.02078 Heavy Atoms 17 Complexity 254.0 InChI Key: DQQDMAYZPICFMH-UHFFFAOYSA-M. SMILES: CC[N+]1=CC2=C(C=C1)C(=CC=C2)OC(=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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