Compound C16H26BrClN2O2

2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]amino]ethyl-diethylazanium chloride

CAS: 86745-99-5

Molecular Formula	`C16H26BrClN2O2`
Molecular Weight	393.7 g/mol
Topological Polar Surface Area	42.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	8
Exact Mass	392.0866
Heavy Atoms	22
Complexity	299.0

Chemical Identifiers

CAS Number	86745-99-5
SMILES	`CC[NH+](CC)CCNC(=O)COC1=CC(=C(C(=C1)C)Br)C.[Cl-]`
InChIKey	`PMEZVAZKVHRUKM-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H26BrClN2O2 (CAS: 86745-99-5) is a chemical compound with molecular formula C16H26BrClN2O2 and molecular weight 393.7 g/mol. Its IUPAC systematic name is 2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]amino]ethyl-diethylazanium chloride. Topological Polar Surface Area 42.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 8 Exact Mass 392.0866 Heavy Atoms 22 Complexity 299.0 InChI Key: PMEZVAZKVHRUKM-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCNC(=O)COC1=CC(=C(C(=C1)C)Br)C.[Cl-].

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