821-06-7 Purity
98%
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The molecular formula of 2-Fluoro-3-nitrobenzyl bromide is C7H5BrFNO2.
The molecular weight of 2-Fluoro-3-nitrobenzyl bromide is 234.02 g/mol.
The IUPAC name of 2-Fluoro-3-nitrobenzyl bromide is 1-(bromomethyl)-2-fluoro-3-nitrobenzene.
The InChI of 2-Fluoro-3-nitrobenzyl bromide is InChI=1S/C7H5BrFNO2/c8-4-5-2-1-3-6(7(5)9)10(11)12/h1-3H,4H2.
The InChIKey of 2-Fluoro-3-nitrobenzyl bromide is MIESICVJNXXYKC-UHFFFAOYSA-N.
The canonical SMILES of 2-Fluoro-3-nitrobenzyl bromide is C1=CC(=C(C(=C1)[N+](=O)[O-])F)CBr.
The CAS number of 2-Fluoro-3-nitrobenzyl bromide is 946125-65-1.
The XLogP3-AA value of 2-Fluoro-3-nitrobenzyl bromide is 2.4.
2-Fluoro-3-nitrobenzyl bromide has 0 hydrogen bond donor counts.
2-Fluoro-3-nitrobenzyl bromide has 3 hydrogen bond acceptor counts.