Compound C16H26Br2Cl2N2O2

2-[2-(5,6-dibromo-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride

CAS: 52400-80-3

Molecular Formula	`C16H26Br2Cl2N2O2`
Molecular Weight	509.1 g/mol
Topological Polar Surface Area	39.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	507.97177
Heavy Atoms	24
Complexity	324.0

Chemical Identifiers

CAS Number	52400-80-3
SMILES	`CC[NH+](CC)CC[NH2+]CCC1(OC2=CC(=C(C=C2O1)Br)Br)C.[Cl-].[Cl-]`
InChIKey	`DCCDACQUSKIVNL-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H26Br2Cl2N2O2 (CAS: 52400-80-3) is a chemical compound with molecular formula C16H26Br2Cl2N2O2 and molecular weight 509.1 g/mol. Its IUPAC systematic name is 2-[2-(5,6-dibromo-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride. Topological Polar Surface Area 39.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 507.97177 Heavy Atoms 24 Complexity 324.0 InChI Key: DCCDACQUSKIVNL-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC[NH2+]CCC1(OC2=CC(=C(C=C2O1)Br)Br)C.[Cl-].[Cl-].

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