Compound C21H30BrClN2O4

4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium bromide

CAS: 60723-95-7

Molecular Formula	`C21H30BrClN2O4`
Molecular Weight	489.8 g/mol
Topological Polar Surface Area	68.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	488.10776
Heavy Atoms	29
Complexity	497.0

Chemical Identifiers

CAS Number	60723-95-7
SMILES	`CC1=CC(=C(C=C1Cl)C(C)C)OCCCC[N+](C)(C)CC2=CC=C(O2)[N+](=O)[O-].[Br-]`
InChIKey	`JSUYRNUGISWJMY-UHFFFAOYSA-M`

📖 Product Overview

Compound C21H30BrClN2O4 (CAS: 60723-95-7) is a chemical compound with molecular formula C21H30BrClN2O4 and molecular weight 489.8 g/mol. Its IUPAC systematic name is 4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium bromide. Topological Polar Surface Area 68.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 9 Exact Mass 488.10776 Heavy Atoms 29 Complexity 497.0 InChI Key: JSUYRNUGISWJMY-UHFFFAOYSA-M. SMILES: CC1=CC(=C(C=C1Cl)C(C)C)OCCCC[N+](C)(C)CC2=CC=C(O2)[N+](=O)[O-].[Br-].

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