(4-chlorophenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride

CAS: 50279-94-2

Molecular Formula	`C20H18Cl2N2O3`
Molecular Weight	405.3 g/mol
Topological Polar Surface Area	44.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	404.06946
Heavy Atoms	27
Complexity	553.0

Chemical Identifiers

CAS Number	50279-94-2
SMILES	`C[NH+]1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)Cl)OCO4.[Cl-]`
InChIKey	`XLKNVSTXGFFCPA-UHFFFAOYSA-N`

📖 Product Overview

(4-chlorophenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride (CAS: 50279-94-2) is a chemical compound with molecular formula C20H18Cl2N2O3 and molecular weight 405.3 g/mol. Its IUPAC systematic name is (4-chlorophenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride. Topological Polar Surface Area 44.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 404.06946 Heavy Atoms 27 Complexity 553.0 InChI Key: XLKNVSTXGFFCPA-UHFFFAOYSA-N. SMILES: C[NH+]1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)Cl)OCO4.[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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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (4-chlorophenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride.

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