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| CAS No.: | 186593-54-4 |
|---|---|
| Name: | 3-BROMO-2-FLUORO-5-HYDROXYPYRIDINE |
| Molecular Structure: | |
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| Formula: | C5H3BrFNO |
| Molecular Weight: | 191.99 |
| Synonyms: | 3-Bromo-2-fluoro-5-hydroxypyridine;5-Bromo-6-fluoropyridin-3-ol; |
| Density: | 1.891 g/cm3 |
| Boiling Point: | 374.7 °C at 760 mmHg |
| Flash Point: | 180.4 °C |
| PSA: | 33.12000 |
| LogP: | 1.68880 |
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Specification
This chemical is called 3-Pyridinol, 5-bromo-6-fluoro-, and its systematic name is 5-bromo-6-fluoropyridin-3-ol. With the molecular formula of C5H3BrFNO, its molecular weight is 191.99. The CAS registry number of this chemical is 186593-54-4. Additionally, its product category is Pyridine.
Other characteristics of the 3-Pyridinol, 5-bromo-6-fluoro- can be summarised as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 32.62; (6)ACD/BCF (pH 7.4): 15.61; (7)ACD/KOC (pH 5.5): 420.02; (8)ACD/KOC (pH 7.4): 201.03; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 33.9 cm3; (15)Molar Volume: 101.4 cm3; (16)Polarizability: 13.44×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.891 g/cm3; (19)Flash Point: 180.4 °C; (20)Enthalpy of Vaporization: 64.65 kJ/mol; (21)Boiling Point: 374.7 °C at 760 mmHg; (22)Vapour Pressure: 3.81E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc1cnc(F)c(Br)c1
2.InChI: InChI=1/C5H3BrFNO/c6-4-1-3(9)2-8-5(4)7/h1-2,9H
3.InChIKey: APZDTSYBPUWQHB-UHFFFAOYAZ