benzyl-[(6-chloro-1H-benzimidazol-3-ium-2-yl)methyl]azanium dichloride

CAS: 102516-85-8

Molecular Formula	`C15H16Cl3N3`
Molecular Weight	344.7 g/mol
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	2
Rotatable Bonds	4
Exact Mass	343.041
Heavy Atoms	21
Complexity	281.0

Chemical Identifiers

CAS Number	102516-85-8
SMILES	`C1=CC=C(C=C1)C[NH2+]CC2=[NH+]C3=C(N2)C=C(C=C3)Cl.[Cl-].[Cl-]`
InChIKey	`SHGDKOZJGQVXEQ-UHFFFAOYSA-N`

📖 Product Overview

benzyl-[(6-chloro-1H-benzimidazol-3-ium-2-yl)methyl]azanium dichloride (CAS: 102516-85-8) is a chemical compound with molecular formula C15H16Cl3N3 and molecular weight 344.7 g/mol. Its IUPAC systematic name is benzyl-[(6-chloro-1H-benzimidazol-3-ium-2-yl)methyl]azanium dichloride. Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 2 Rotatable Bonds 4 Exact Mass 343.041 Heavy Atoms 21 Complexity 281.0 InChI Key: SHGDKOZJGQVXEQ-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C[NH2+]CC2=[NH+]C3=C(N2)C=C(C=C3)Cl.[Cl-].[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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