Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)-, hydrochloride

1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride

CAS: 54995-99-2

Molecular Formula	`C21H21ClFNO2`
Molecular Weight	373.8 g/mol
Topological Polar Surface Area	34.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	373.12448
Heavy Atoms	26
Complexity	463.0

Chemical Identifiers

CAS Number	54995-99-2
SMILES	`C1C[NH+](CC2=C1OC3=CC=CC=C23)CCCC(=O)C4=CC=C(C=C4)F.[Cl-]`
InChIKey	`ONQUIWRCJHTFQY-UHFFFAOYSA-N`

📖 Product Overview

Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)-, hydrochloride (CAS: 54995-99-2) is a chemical compound with molecular formula C21H21ClFNO2 and molecular weight 373.8 g/mol. Its IUPAC systematic name is 1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride. Topological Polar Surface Area 34.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 373.12448 Heavy Atoms 26 Complexity 463.0 InChI Key: ONQUIWRCJHTFQY-UHFFFAOYSA-N. SMILES: C1C[NH+](CC2=C1OC3=CC=CC=C23)CCCC(=O)C4=CC=C(C=C4)F.[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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