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| IUPAC Name: | 4-(isocyanatomethyl)benzonitrile |
| Description: | 4-(Isocyanatomethyl)benzonitrile is used as reactant/reagent for design and synthesis of nonpeptide inhibitors of hepatocyte growth factor activation. |
| Molecular Weight: | 158.16 |
| Molecular Formula: | C9H6N2O |
| Canonical SMILES: | C1=CC(=CC=C1CN=C=O)C#N |
| InChI: | InChI=1S/C9H6N2O/c10-5-8-1-3-9(4-2-8)6-11-7-12/h1-4H,6H2 |
| InChI Key: | BBTZABNGCRVJCS-UHFFFAOYSA-N |
| Melting Point: | >46°C (dec.) |
| Solubility: | DMSO (Slightly), Methanol (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C Freezer, Under inert atmosphere |
| References: | Venukadasula, P. K. M., et al. ACS Med. Chem. Lett., 7, 177-181 (2016). |
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