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The molecular formula of methyl 4-bromo-3-nitrobenzoate is C8H6BrNO4.
The molecular weight of methyl 4-bromo-3-nitrobenzoate is 260.04 g/mol.
The IUPAC name of methyl 4-bromo-3-nitrobenzoate is methyl 4-bromo-3-nitrobenzoate.
The InChI of methyl 4-bromo-3-nitrobenzoate is InChI=1S/C8H6BrNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3.
The InChIKey of methyl 4-bromo-3-nitrobenzoate is BNNDHGPPQZVKMX-UHFFFAOYSA-N.
The canonical SMILES of methyl 4-bromo-3-nitrobenzoate is COC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-].
The CAS number of methyl 4-bromo-3-nitrobenzoate is 2363-16-8.
The XLogP3-AA value of methyl 4-bromo-3-nitrobenzoate is 2.3.
The topological polar surface area of methyl 4-bromo-3-nitrobenzoate is 72.1Ų.
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