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| CAS No.: | 851386-33-9 |
|---|---|
| Name: | 5,6-DIFLUORO PYRIDINE-3-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C6H3F2NO2 |
| Molecular Weight: | 159.092 |
| Synonyms: | 5,6-Difluoro-nicotinicacid; |
| Density: | 1.536 g/cm3 |
| Melting Point: | 129-132 °C (decomp)(Solv: chloroform (67-66-3)) |
| Boiling Point: | 291.323 °C at 760 mmHg |
| Flash Point: | 129.988 °C |
| PSA: | 50.19000 |
| LogP: | 1.05800 |
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- Total:23 Page 1 of 1 1
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Specification
The 3-Pyridinecarboxylicacid, 5,6-difluoro-, with the CAS registry number 851386-33-9, is also known as 5,6-Difluoro-nicotinicacid. This chemical's molecular formula is C6H3F2NO2 and molecular weight is 159.0903. What's more, its systematic name is called 5,6-Difluoropyridine-3-carboxylic acid.
Physical properties about 3-Pyridinecarboxylicacid, 5,6-difluoro- are: (1)ACD/LogP: 1.43; (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: 1.515; (12)Molar Refractivity: 31.262 cm3; (13)Molar Volume: 103.606 cm3; (14)Polarizability: 12.393×10-24 cm3; (15)Surface Tension: 51.687 dyne/cm; (16)Density: 1.536 g/cm3; (17)Flash Point: 129.988 °C; (18)Enthalpy of Vaporization: 56.053 kJ/mol; (19)Boiling Point: 291.323 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(C(=O)O)cnc1F
(2) InChI: InChI=1/C6H3F2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
(3) InChIKey: DGNBUWVYFMVMHG-UHFFFAOYAQ