41513-04-6 Purity
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The molecular formula of 2-Bromo-5-nitrophenetole is C8H8BrNO3.
The molecular weight of 2-Bromo-5-nitrophenetole is 246.06 g/mol.
The IUPAC name of 2-Bromo-5-nitrophenetole is 1-bromo-2-ethoxy-4-nitrobenzene.
The InChI of 2-Bromo-5-nitrophenetole is InChI=1S/C8H8BrNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3.
The InChIKey of 2-Bromo-5-nitrophenetole is ZALXYXWTUXLPBJ-UHFFFAOYSA-N.
The canonical SMILES of 2-Bromo-5-nitrophenetole is CCOC1=C(C=CC(=C1)[N+](=O)[O-])Br.
The CAS number of 2-Bromo-5-nitrophenetole is 423165-33-7.
The XLogP3-AA value of 2-Bromo-5-nitrophenetole is 2.8.
Yes, 2-Bromo-5-nitrophenetole is a canonicalized compound according to PubChem.