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| CAS No.: | 884494-76-2 |
|---|---|
| Name: | 6-Chloro-3-fluoro-pyridine-2-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C6H3ClFNO2 |
| Molecular Weight: | 175.547 |
| Synonyms: | 6-chloro-3-fluoropyridine-2-carboxylic acid |
| Density: | 1.576 g/cm3 |
| Boiling Point: | 296.4 °C at 760 mmHg |
| Flash Point: | 133.1 °C |
| PSA: | 50.19000 |
| LogP: | 1.57230 |
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- Total:33 Page 1 of 1 1
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Specification
This chemical is called 2-Chloro-5-fluoropyridine-6-carboxylic acid, and its systematic name is 2-pyridinecarboxylic acid, 6-chloro-3-fluoro-. With the molecular formula of C6H3ClFNO2, its molecular weight is 175.54. The CAS registry number of this chemical is 884494-76-2.
Other characteristics of the 2-Chloro-5-fluoropyridine-6-carboxylic acid can be summarised as followings: (1)ACD/LogP: 0.89; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å2; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 36.16 cm3; (13)Molar Volume: 111.3 cm3; (14)Polarizability: 14.33×10-24cm3; (15)Surface Tension: 57.4 dyne/cm; (16)Density: 1.576 g/cm3; (17)Flash Point: 133.1 °C; (18)Enthalpy of Vaporization: 56.62 kJ/mol; (19)Boiling Point: 296.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000649 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(nc(c1F)C(=O)O)Cl
2.InChI: InChI=1/C6H3ClFNO2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,(H,10,11)
3.InChIKey: YGDRQLYJJGEHCC-UHFFFAOYAH