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methyl 2-pyridazin-1-ium-1-ylethanoate bromide

methyl 2-pyridazin-1-ium-1-ylethanoate bromide

Systemtic Name:methyl 2-pyridazin-1-ium-1-ylethanoate bromide
Openeye Name:methyl 2-pyridazin-1-ium-1-ylacetate bromide
CAS Name:2-(1-pyridazin-1-iumyl)acetic acid methyl ester bromide
IUPAC Name:methyl 2-pyridazin-1-ium-1-ylacetate bromide
Traditional Name:2-pyridazin-1-ium-1-ylacetic acid methyl ester bromide
Formula: C7H9BrN2O2
MolecularWeight: 233.06256
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=CC=N1.[Br-]


Isomeric SMILES

COC(=O)C[N+]1=CC=CC=N1.[Br-]


InChI

InChI=1S/C7H9N2O2.BrH/c1-11-7(10)6-9-5-3-2-4-8-9;/h2-5H,6H2,1H3;1H/q+1;/p-1


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