Azabicyclooctanol methyl bromide diphenylacetate

(1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) 2,2-diphenylacetate bromide

CAS: 69766-47-8

Molecular Formula	`C22H26BrNO2`
Molecular Weight	416.4 g/mol
Topological Polar Surface Area	26.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	415.1147
Heavy Atoms	26
Complexity	449.0

Chemical Identifiers

CAS Number	69766-47-8
SMILES	`C[N+]12CCCC(C1)C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]`
InChIKey	`QLCKKZRFIQOLTD-UHFFFAOYSA-M`

📖 Product Overview

Azabicyclooctanol methyl bromide diphenylacetate (CAS: 69766-47-8) is a chemical compound with molecular formula C22H26BrNO2 and molecular weight 416.4 g/mol. Its IUPAC systematic name is (1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) 2,2-diphenylacetate bromide. Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 415.1147 Heavy Atoms 26 Complexity 449.0 InChI Key: QLCKKZRFIQOLTD-UHFFFAOYSA-M. SMILES: C[N+]12CCCC(C1)C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-].

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