Compound C13H13ClN2O

1-benzylpyridin-1-ium-3-carboxamide chloride

CAS: 5096-13-9

Molecular Formula	`C13H13ClN2O`
Molecular Weight	248.71 g/mol
Topological Polar Surface Area	47.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	248.07164
Heavy Atoms	17
Complexity	236.0

Chemical Identifiers

CAS Number	5096-13-9
SMILES	`C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-]`
InChIKey	`XLYNVJJFQHWCEU-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H13ClN2O (CAS: 5096-13-9) is a chemical compound with molecular formula C13H13ClN2O and molecular weight 248.71 g/mol. Its IUPAC systematic name is 1-benzylpyridin-1-ium-3-carboxamide chloride. Topological Polar Surface Area 47.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 3 Exact Mass 248.07164 Heavy Atoms 17 Complexity 236.0 InChI Key: XLYNVJJFQHWCEU-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-].

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