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CAS No.: | 19840-44-9 |
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Name: | 5-bromo-6-hydroxypyridine-3-carbonitrile |
Molecular Structure: | |
Formula: | C6H3BrN2O |
Molecular Weight: | 199.007 |
Synonyms: | Nicotinonitrile,5-bromo-6-hydroxy- (8CI);5-Bromo-6-hydroxynicotinonitrile;3-Bromo-5-Cyano-2-Hydroxypyridine; |
Density: | 1.927 g/cm3 |
Boiling Point: | 345.139 °C at 760 mmHg |
Flash Point: | 162.534 °C |
PSA: | 56.91000 |
LogP: | 1.42138 |
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The CAS register number of 3-Pyridinecarbonitrile,5-bromo-1,6-dihydro-6-oxo- is 19840-44-9. It also can be called as 3-Bromo-5-Cyano-2-Hydroxypyridine and the systematic name about this chemical is 5-bromo-6-hydroxy-pyridine-3-carbonitrile. The molecular formula about this chemical is C6H3BrN2O and the molecular weight is 199.0048.
Physical properties about 3-Pyridinecarbonitrile,5-bromo-1,6-dihydro-6-oxo- are: (1)ACD/LogP: 0.77; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)Polar Surface Area: 56.91Å2; (5)Index of Refraction: 1.665; (6)Molar Refractivity: 38.36 cm3; (7)Molar Volume: 103.2 cm3; (8)Polarizability: 15.21x10-24cm3; (9)Surface Tension: 86.3 dyne/cm; (10)Flash Point: 162.5 °C; (11)Enthalpy of Vaporization: 61.25 kJ/mol; (12)Boiling Point: 345.1 °C at 760 mmHg; (13)Vapour Pressure: 3.15E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(c1Br)O)C#N
(2)InChI: InChI=1/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
(3)InChIKey: NCIBXYJEJGGUFF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
(5)Std. InChIKey: NCIBXYJEJGGUFF-UHFFFAOYSA-N