IUPAC Name: | 2-fluoro-5-formylbenzonitrile |
Description: | 2-Fluoro-5-formylbenzonitrile is used in the preparation of heterocyclic compounds as PARP inhibitors for medical study. |
Molecular Weight: | 149.12 |
Molecular Formula: | C8H4FNO |
Canonical SMILES: | C1=CC(=C(C=C1C=O)C#N)F |
InChI: | InChI=1S/C8H4FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H |
InChI Key: | MOFRJTLODZILCR-UHFFFAOYSA-N |
Boiling Point: | 215.6±20.0 °C (Predicted) |
Melting Point: | 80-84 °C (lit.) |
Purity: | 98 % |
Density: | 1.25±0.1 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform, Methanol |
MDL: | MFCD01863558 |
LogP: | 1.50988 |
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