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The molecular formula is C6H4BrNO4S.
The molecular weight is 266.07 g/mol.
The IUPAC name is methyl 5-bromo-4-nitrothiophene-2-carboxylate.
The InChI is InChI=1S/C6H4BrNO4S/c1-12-6(9)4-2-3(8(10)11)5(7)13-4/h2H,1H3.
The InChIKey is IKLHFNCFMCPBRU-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=CC(=C(S1)Br)[N+](=O)[O-].
The CAS number is 38239-32-6.
It has 0 hydrogen bond donor count.
It has 2 rotatable bond counts.
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