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The molecular formula of 1-Cyano-2-bromo-5-nitrobenzene is C7H3BrN2O2.
The molecular weight of 1-Cyano-2-bromo-5-nitrobenzene is 227.01 g/mol.
The IUPAC name of 1-Cyano-2-bromo-5-nitrobenzene is 2-bromo-5-nitrobenzonitrile.
The InChI of 1-Cyano-2-bromo-5-nitrobenzene is InChI=1S/C7H3BrN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H.
The InChIKey of 1-Cyano-2-bromo-5-nitrobenzene is RKODNVITKISFKU-UHFFFAOYSA-N.
The canonical SMILES of 1-Cyano-2-bromo-5-nitrobenzene is C1=CC(=C(C=C1[N+](=O)[O-])C#N)Br.
The CAS number of 1-Cyano-2-bromo-5-nitrobenzene is 134604-07-2.
The XLogP3-AA value of 1-Cyano-2-bromo-5-nitrobenzene is 2.2.
1-Cyano-2-bromo-5-nitrobenzene has 3 hydrogen bond acceptor count.
The topological polar surface area of 1-Cyano-2-bromo-5-nitrobenzene is 69.6Ų.
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