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| CAS No.: | 850142-73-3 |
|---|---|
| Name: | 6-Bromo-2-fluoro-3-methoxypyridine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H5BrFNO |
| Molecular Weight: | 206.0124 |
| Synonyms: | Pyridine, 6-bromo-2-fluoro-3-methoxy-; |
| Density: | 1.621 g/cm3 |
| Boiling Point: | 257.387 °C at 760 mmHg |
| Flash Point: | 109.464 °C |
| PSA: | 22.12000 |
| LogP: | 1.99180 |
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- Total:24 Page 1 of 1 1
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Specification
The IUPAC name of 6-Bromo-2-fluoro-3-methoxypyridine is 6-bromo-2-fluoro-3-methoxypyridine. With the CAS registry number 850142-73-3, it is also named as Pyridine, 6-bromo-2-fluoro-3-methoxy-. In addition, its molecular formula is C6H5BrFNO and its molecular weight is 206.0124.
The other characteristics of 6-Bromo-2-fluoro-3-methoxypyridine can be summarized as: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.146; (4)ACD/LogD (pH 7.4): 2.146; (5)ACD/BCF (pH 5.5): 25.169; (6)ACD/BCF (pH 7.4): 25.169; (7)ACD/KOC (pH 5.5): 350.233; (8)ACD/KOC (pH 7.4): 350.233; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 38.707 cm3; (15)Molar Volume: 127.054 cm3; (16)Polarizability: 15.344×10-24cm3; (17)Surface Tension: 38.125 dyne/cm; (18)Density: 1.621 g/cm3; (19)Flash Point: 109.464 °C; (20)Enthalpy of Vaporization: 47.495 kJ/mol; (21)Boiling Point: 257.387 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: COc1ccc(nc1F)Br
(2)InChI: InChI=1/C6H5BrFNO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3
(3)InChIKey: SJOBMIWECHDGAY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H5BrFNO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3
(5)Std. InChIKey: SJOBMIWECHDGAY-UHFFFAOYSA-N