Ro 2-1976

[3-[(4-bromophenyl)-methylcarbamoyl]oxy-2-pyridinyl]methyl-trimethylazanium bromide

CAS: 69766-50-3

Molecular Formula	`C17H21Br2N3O2`
Molecular Weight	459.2 g/mol
Topological Polar Surface Area	42.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	458.998
Heavy Atoms	24
Complexity	392.0

Chemical Identifiers

CAS Number	69766-50-3
SMILES	`CN(C1=CC=C(C=C1)Br)C(=O)OC2=C(N=CC=C2)C[N+](C)(C)C.[Br-]`
InChIKey	`KXYBFKJEJAYODT-UHFFFAOYSA-M`

📖 Product Overview

Ro 2-1976 (CAS: 69766-50-3) is a chemical compound with molecular formula C17H21Br2N3O2 and molecular weight 459.2 g/mol. Its IUPAC systematic name is [3-[(4-bromophenyl)-methylcarbamoyl]oxy-2-pyridinyl]methyl-trimethylazanium bromide. Topological Polar Surface Area 42.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 458.998 Heavy Atoms 24 Complexity 392.0 InChI Key: KXYBFKJEJAYODT-UHFFFAOYSA-M. SMILES: CN(C1=CC=C(C=C1)Br)C(=O)OC2=C(N=CC=C2)C[N+](C)(C)C.[Br-].

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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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