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The molecular formula of 3-Trifluoromethylbenzylcyanide is C9H6F3N.
The molecular weight of 3-Trifluoromethylbenzylcyanide is 185.15 g/mol.
The IUPAC name of 3-Trifluoromethylbenzylcyanide is 2-[3-(trifluoromethyl)phenyl]acetonitrile.
The InChIKey of 3-Trifluoromethylbenzylcyanide is JOIYKSLWXLFGGR-UHFFFAOYSA-N.
The canonical SMILES of 3-Trifluoromethylbenzylcyanide is C1=CC(=CC(=C1)C(F)(F)F)CC#N.
The XLogP3 value of 3-Trifluoromethylbenzylcyanide is 2.8.
The hydrogen bond donor count of 3-Trifluoromethylbenzylcyanide is 0.
The hydrogen bond acceptor count of 3-Trifluoromethylbenzylcyanide is 4.
3-Trifluoromethylbenzylcyanide has 1 rotatable bond.
The topological polar surface area of 3-Trifluoromethylbenzylcyanide is 23.8 ?2.
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