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| CAS No.: | 473416-81-8 |
|---|---|
| Name: | 4-Fluoro-1H-indazole-5-carbonitrile |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H4FN3 |
| Molecular Weight: | 161.138 |
| Synonyms: | 4-Fluoro-1H-indazole-5-carbonitrile; |
| Density: | 1.443 g/cm3 |
| Boiling Point: | 367.476 °C at 760 mmHg |
| Flash Point: | 176.043 °C |
| PSA: | 52.47000 |
| LogP: | 1.57368 |
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Specification
The 4-Fluoro-1H-indazole-5-carbonitrile, with the CAS registry number 473416-81-8, is also known as MolPort-004-782-369. It belongs to the product category of Halide. This chemical's molecular formula is C8H4FN3 and molecular weight is 161.1358632. Its IUPAC name is called 4-fluoro-1H-indazole-5-carbonitrile.
Physical properties of 4-Fluoro-1H-indazole-5-carbonitrile: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 14; (5)ACD/BCF (pH 7.4): 14; (6)ACD/KOC (pH 5.5): 235; (7)ACD/KOC (pH 7.4): 235; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.65; (11)Molar Refractivity: 40.713 cm3; (12)Molar Volume: 111.655 cm3; (13)Surface Tension: 69.327 dyne/cm; (14)Density: 1.443 g/cm3; (15)Flash Point: 176.043 °C; (16)Enthalpy of Vaporization: 61.402 kJ/mol; (17)Boiling Point: 367.476 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=NN2)C(=C1C#N)F
(2)InChI: InChI=1S/C8H4FN3/c9-8-5(3-10)1-2-7-6(8)4-11-12-7/h1-2,4H,(H,11,12)
(3)InChIKey: WGOKYACZRGAYOZ-UHFFFAOYSA-N