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The molecular formula is C6H6BrNO2.
The molecular weight is 204.02 g/mol.
The IUPAC Name is methyl 4-bromo-1H-pyrrole-2-carboxylate.
The InChI is InChI=1S/C6H6BrNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3.
The InChIKey is ZXFCRVGOHJHZNF-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=CC(=CN1)Br.
The CAS number is 934-05-4.
The EC number is 807-000-7.
The XLogP3-AA value is 1.6.
Yes, it is a canonicalized compound.
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