Compound C12H16ClNO2

2-(furan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride

CAS: 111897-01-9

Molecular Formula	`C12H16ClNO2`
Molecular Weight	241.71 g/mol
Topological Polar Surface Area	34.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	241.08696
Heavy Atoms	16
Complexity	258.0

Chemical Identifiers

CAS Number	111897-01-9
SMILES	`C1C[NH+]2CCC1C(=O)C2CC3=CC=CO3.[Cl-]`
InChIKey	`OWBXQHIIFVBXOC-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H16ClNO2 (CAS: 111897-01-9) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.71 g/mol. Its IUPAC systematic name is 2-(furan-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-one chloride. Topological Polar Surface Area 34.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 241.08696 Heavy Atoms 16 Complexity 258.0 InChI Key: OWBXQHIIFVBXOC-UHFFFAOYSA-N. SMILES: C1C[NH+]2CCC1C(=O)C2CC3=CC=CO3.[Cl-].

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