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| CAS No.: | 959236-59-0 |
|---|---|
| Name: | 7-fluoro-1H-indazole-3-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C8H5FN2O2 |
| Molecular Weight: | 180.138 |
| Synonyms: | 7-fluoro-1H-indazole-3-carboxylic acid;3-Carboxy-7-fluoro-1H-indazole;7-Fluoroindazole-3-carboxylic acid |
| Density: | 1.611 g/cm3 |
| Boiling Point: | 445.851 °C at 760 mmHg |
| Flash Point: | 223.443 °C |
| PSA: | 65.98000 |
| LogP: | 1.40020 |
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Specification
This chemical is called 7-Fluoro-1H-indazole-3-carboxylic acid, and it can also be named as 1H-indazole-3-carboxylic acid, 7-fluoro-. With the molecular formula of C8H5FN2O2, its molecular weight is 180.14. The CAS registry number of this chemical is 959236-59-0.
Other characteristics of the 7-Fluoro-1H-indazole-3-carboxylic acid can be summarised as followings: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å2; (11)Index of Refraction: 1.707; (12)Molar Refractivity: 43.544 cm3; (13)Molar Volume: 111.835 cm3; (14)Polarizability: 17.262×10-24cm3; (15)Surface Tension: 79.663 dyne/cm; (16)Density: 1.611 g/cm3; (17)Flash Point: 223.443 °C; (18)Enthalpy of Vaporization: 74.184 kJ/mol; (19)Boiling Point: 445.851 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc2c(c(c1)F)[nH]nc2C(=O)O
2.InChI: InChI=1/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-11-7(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
3.InChIKey: DFOSXJTYCNLCKG-UHFFFAOYAY