(1-methylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate bromide

CAS: 5505-69-1

Molecular Formula	`C22H28BrNO3`
Molecular Weight	434.4 g/mol
Topological Polar Surface Area	40.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	433.12527
Heavy Atoms	27
Complexity	423.0

Chemical Identifiers

CAS Number	5505-69-1
SMILES	`CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCC[NH+]3C.[Br-]`
InChIKey	`BHFXWHJCJHCSMD-UHFFFAOYSA-N`

📖 Product Overview

(1-methylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate bromide (CAS: 5505-69-1) is a chemical compound with molecular formula C22H28BrNO3 and molecular weight 434.4 g/mol. Its IUPAC systematic name is (1-methylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate bromide. Topological Polar Surface Area 40.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 433.12527 Heavy Atoms 27 Complexity 423.0 InChI Key: BHFXWHJCJHCSMD-UHFFFAOYSA-N. SMILES: CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCC[NH+]3C.[Br-].

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