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| CAS No.: | 884494-52-4 |
|---|---|
| Name: | 3-BROMO-2-FLUORO-4-IODOPYRIDINE |
| Molecular Structure: | |
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| Formula: | C5H2BrFIN |
| Molecular Weight: | 301.88 |
| Synonyms: | 3-Bromo-2-fluoro-4-iodopyridine; |
| Density: | 2.412 g/cm3 |
| Boiling Point: | 266.7 °C at 760 mmHg |
| Flash Point: | 115.1 °C |
| PSA: | 12.89000 |
| LogP: | 2.58780 |
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- Total:30 Page 1 of 1 1
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Specification
This chemical is called Pyridine, 3-bromo-2-fluoro-4-iodo-, and it can also be named as 3-Bromo-2-fluoro-4-iodopyridine. With the molecular formula of C5H2BrFIN, its molecular weight is 301.88. The CAS registry number of this chemical is 884494-52-4.
Other characteristics of the Pyridine, 3-bromo-2-fluoro-4-iodo- can be summarised as followings: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 69.52; (6)ACD/BCF (pH 7.4): 69.52; (7)ACD/KOC (pH 5.5): 724.8; (8)ACD/KOC (pH 7.4): 724.8; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 44.93 cm3; (15)Molar Volume: 125.1 cm3; (16)Polarizability: 17.81×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 2.412 g/cm3; (19)Flash Point: 115.1 °C; (20)Enthalpy of Vaporization: 48.43 kJ/mol; (21)Boiling Point: 266.7 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cnc(c(c1I)Br)F
2.InChI: InChI=1/C5H2BrFIN/c6-4-3(8)1-2-9-5(4)7/h1-2H
3.InChIKey: IAZJZTNSBFOSIS-UHFFFAOYAY