Compound C22H32BrClN2O4

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

CAS: 60724-03-0

Molecular Formula	`C22H32BrClN2O4`
Molecular Weight	503.9 g/mol
Topological Polar Surface Area	68.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	10
Exact Mass	502.1234
Heavy Atoms	30
Complexity	512.0

Chemical Identifiers

CAS Number	60724-03-0
SMILES	`CC1=CC(=C(C=C1Cl)C(C)C)OCCCCC[N+](C)(C)CC2=CC=C(O2)[N+](=O)[O-].[Br-]`
InChIKey	`JMXPXEMJNXHDFH-UHFFFAOYSA-M`

📖 Product Overview

Compound C22H32BrClN2O4 (CAS: 60724-03-0) is a chemical compound with molecular formula C22H32BrClN2O4 and molecular weight 503.9 g/mol. Its IUPAC systematic name is 5-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentyl-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 10 Exact Mass 502.1234 Heavy Atoms 30 Complexity 512.0 InChI Key: JMXPXEMJNXHDFH-UHFFFAOYSA-M. SMILES: CC1=CC(=C(C=C1Cl)C(C)C)OCCCCC[N+](C)(C)CC2=CC=C(O2)[N+](=O)[O-].[Br-].

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