Compound C15H16ClN3O3

7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride

CAS: 21038-13-1

Molecular Formula	`C15H16ClN3O3`
Molecular Weight	321.76 g/mol
Topological Polar Surface Area	72.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	321.088
Heavy Atoms	22
Complexity	355.0

Chemical Identifiers

CAS Number	21038-13-1
SMILES	`C1C2=C(CON1CCC3=CC=[NH+]C=C3)C=C(C=C2)[N+](=O)[O-].[Cl-]`
InChIKey	`SSBPLEKEDHPOCG-UHFFFAOYSA-N`

📖 Product Overview

Compound C15H16ClN3O3 (CAS: 21038-13-1) is a chemical compound with molecular formula C15H16ClN3O3 and molecular weight 321.76 g/mol. Its IUPAC systematic name is 7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride. Topological Polar Surface Area 72.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 321.088 Heavy Atoms 22 Complexity 355.0 InChI Key: SSBPLEKEDHPOCG-UHFFFAOYSA-N. SMILES: C1C2=C(CON1CCC3=CC=[NH+]C=C3)C=C(C=C2)[N+](=O)[O-].[Cl-].

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