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The molecular formula is C9H5BrFNO.
The molecular weight is 242.04 g/mol.
The IUPAC name is 3-(3-bromo-4-fluorophenyl)-3-oxopropanenitrile.
The InChI is InChI=1S/C9H5BrFNO/c10-7-5-6(1-2-8(7)11)9(13)3-4-12/h1-2,5H,3H2.
The InChIKey is LDRVPDDDAYDBDI-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1C(=O)CC#N)Br)F.
The CAS number is 914636-74-1.
The XLogP3-AA value is 2.3.
The compound has 0 hydrogen bond donor counts.
The compound has 2 rotatable bond counts.
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