CAS
38940-62-4 Purity
98%
38940-62-4 Purity
98%
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PubChem CID 77568
The molecular formula is C7H6BrNO2.
The synonyms are 1-(Bromomethyl)-3-nitrobenzene and m-Nitrobenzyl bromide.
The molecular weight is 216.03 g/mol.
The IUPAC name is 1-(bromomethyl)-3-nitrobenzene.
The InChI is InChI=1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2.
The InChIKey is LNWXALCHPJANMJ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC(=C1)[N+](=O)[O-])CBr.
The CAS number is 3958-57-4.
Yes, 3-Nitrobenzyl bromide is a canonicalized compound.