Compound C16H12Cl2N2O

4-chloro-N-isoquinolin-2-ium-2-ylbenzamide chloride

CAS: 76326-96-0

Molecular Formula	`C16H12Cl2N2O`
Molecular Weight	319.2 g/mol
Topological Polar Surface Area	33.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	318.03265
Heavy Atoms	21
Complexity	341.0

Chemical Identifiers

CAS Number	76326-96-0
SMILES	`C1=CC=C2C=[N+](C=CC2=C1)NC(=O)C3=CC=C(C=C3)Cl.[Cl-]`
InChIKey	`ZHXAQWHTTNNMSB-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H12Cl2N2O (CAS: 76326-96-0) is a chemical compound with molecular formula C16H12Cl2N2O and molecular weight 319.2 g/mol. Its IUPAC systematic name is 4-chloro-N-isoquinolin-2-ium-2-ylbenzamide chloride. Topological Polar Surface Area 33.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 2 Exact Mass 318.03265 Heavy Atoms 21 Complexity 341.0 InChI Key: ZHXAQWHTTNNMSB-UHFFFAOYSA-N. SMILES: C1=CC=C2C=[N+](C=CC2=C1)NC(=O)C3=CC=C(C=C3)Cl.[Cl-].

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