Compound C17H21BrClNO2

(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate chloride

CAS: 64048-71-1

Molecular Formula	`C17H21BrClNO2`
Molecular Weight	386.7 g/mol
Topological Polar Surface Area	30.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	385.04443
Heavy Atoms	22
Complexity	403.0

Chemical Identifiers

CAS Number	64048-71-1
SMILES	`C[NH+]1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)Br.[Cl-]`
InChIKey	`LCIGZLBQNNATGD-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H21BrClNO2 (CAS: 64048-71-1) is a chemical compound with molecular formula C17H21BrClNO2 and molecular weight 386.7 g/mol. Its IUPAC systematic name is (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate chloride. Topological Polar Surface Area 30.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 385.04443 Heavy Atoms 22 Complexity 403.0 InChI Key: LCIGZLBQNNATGD-UHFFFAOYSA-N. SMILES: C[NH+]1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)Br.[Cl-].

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