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The molecular formula is C9H8BrNO4.
The synonyms are 1211311-93-1, Benzenepropanoic acid, 4-bromo-3-nitro-, DTXSID30671924, 3-(4-Bromo-3-nitrophenyl)propanoicacid.
The molecular weight is 274.07 g/mol.
The IUPAC name is 3-(4-bromo-3-nitrophenyl)propanoic acid.
The InChI is InChI=1S/C9H8BrNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1,3,5H,2,4H2,(H,12,13).
The InChIKey is DIPFASGZVCFKGT-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1CCC(=O)O)[N+](=O)[O-])Br.
The CAS number is 1211311-93-1.
Yes, it is a canonicalized compound according to PubChem.
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