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The molecular formula of 4-Bromo-3-nitrobenzonitrile is C7H3BrN2O2.
The molecular weight of 4-Bromo-3-nitrobenzonitrile is 227.01 g/mol.
The IUPAC name of 4-Bromo-3-nitrobenzonitrile is 4-bromo-3-nitrobenzonitrile.
The InChI of 4-Bromo-3-nitrobenzonitrile is InChI=1S/C7H3BrN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H.
The InChIKey of 4-Bromo-3-nitrobenzonitrile is FXRMUJPWDOLCLX-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromo-3-nitrobenzonitrile is C1=CC(=C(C=C1C#N)[N+](=O)[O-])Br.
The CAS number of 4-Bromo-3-nitrobenzonitrile is 89642-49-9.
The EC number of 4-Bromo-3-nitrobenzonitrile is 640-536-8.
The XLogP3-AA value of 4-Bromo-3-nitrobenzonitrile is 2.2.
Yes, 4-Bromo-3-nitrobenzonitrile is a canonicalized compound according to PubChem.
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