1000576-75-9 Purity
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The PubChem CID of 5-Bromo-2-nitrobenzoic acid is 248528.
The molecular formula of 5-Bromo-2-nitrobenzoic acid is C7H4BrNO4.
The molecular weight of 5-Bromo-2-nitrobenzoic acid is 246.01 g/mol.
The IUPAC name of 5-Bromo-2-nitrobenzoic acid is 5-bromo-2-nitrobenzoic acid.
The InChI of 5-Bromo-2-nitrobenzoic acid is InChI=1S/C7H4BrNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11).
The InChIKey of 5-Bromo-2-nitrobenzoic acid is FNINYRSNPGPWEL-UHFFFAOYSA-N.
The canonical SMILES of 5-Bromo-2-nitrobenzoic acid is C1=CC(=C(C=C1Br)C(=O)O)[N+](=O)[O-].
The CAS number of 5-Bromo-2-nitrobenzoic acid is 6950-43-2.
The XLogP3 value of 5-Bromo-2-nitrobenzoic acid is 2.2.
Yes, 5-Bromo-2-nitrobenzoic acid is a canonicalized compound.