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CAS No.: | 443956-08-9 |
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Name: | 6-Bromo-2-nitro-pyridin-3-ol |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C5H3BrN2O3 |
Molecular Weight: | 218.994 |
Synonyms: | 2-Bromo-5-hydroxy-6-nitropyridine;6-Bromo-3-hydroxy-2-nitropyridine; |
Density: | 2.007 g/cm3 |
Boiling Point: | 412.975 °C at 760 mmHg |
Flash Point: | 203.56 °C |
PSA: | 78.94000 |
LogP: | 1.98110 |
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The 3-Pyridinol,6-bromo-2-nitro-, with the CAS registry number 443956-08-9, is also known as 2-Pyridinol, 5-bromo-3-nitro-. This chemical's molecular formula is C5H3BrN2O3 and molecular weight is 218.99. Its systematic name is called 5-bromo-3-nitropyridin-2(1H)-one.
Physical properties of 3-Pyridinol,6-bromo-2-nitro-: (1)ACD/LogP: -0.71; (2)ACD/LogD (pH 5.5): -0.78; (3)ACD/LogD (pH 7.4): -1.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.34; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 40.04 cm3; (13)Molar Volume: 110.1 cm3; (14)Surface Tension: 65.7 dyne/cm; (15)Density: 1.98 g/cm3; (16)Flash Point: 133.2 °C; (17)Enthalpy of Vaporization: 53.65 kJ/mol; (18)Boiling Point: 296.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00141 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])\C1=C\C(\Br)=C/NC1=O]
(2)InChI: InChI=1/C5H3BrN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)
(3)InChIKey: WXRLCVUDLFFTFF-UHFFFAOYAY