Compound C12H16ClN3O

1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone;methane;chloride

CAS: 77234-69-6

Molecular Formula	`C12H16ClN3O`
Molecular Weight	253.73 g/mol
Topological Polar Surface Area	59.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	253.09819
Heavy Atoms	17
Complexity	290.0

Chemical Identifiers

CAS Number	77234-69-6
SMILES	`C.C1=CC(=CC=C1C(=O)C[NH+]2C=CN=C2)N.[Cl-]`
InChIKey	`IVPFOZRRUAAUAU-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H16ClN3O (CAS: 77234-69-6) is a chemical compound with molecular formula C12H16ClN3O and molecular weight 253.73 g/mol. Its IUPAC systematic name is 1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone;methane;chloride. Topological Polar Surface Area 59.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 253.09819 Heavy Atoms 17 Complexity 290.0 InChI Key: IVPFOZRRUAAUAU-UHFFFAOYSA-N. SMILES: C.C1=CC(=CC=C1C(=O)C[NH+]2C=CN=C2)N.[Cl-].

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