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CAS No.: | 321535-37-9 |
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Name: | 2-Bromo-6-iodo-3-methoxypyridine |
Molecular Structure: | |
Formula: | C6H5BrINO |
Molecular Weight: | 313.92 |
Synonyms: | 2-Bromo-6-iodo-3-methoxy-pyridine; |
Density: | 2.166 g/cm3 |
Boiling Point: | 315.7 °C at 760 mmHg |
Flash Point: | 144.7 °C |
PSA: | 22.12000 |
LogP: | 2.45730 |
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The 2-Bromo-6-iodo-3-methoxypyridine, with the CAS registry number 321535-37-9, is also known as 2-Bromo-6-iodo-3-methoxy-pyridine. This chemical's molecular formula is C6H5BrINO and molecular weight is 313.9185. What's more, its IUPAC name is 2-Bromo-6-iodo-3-methoxypyridine.
Physical properties about 2-Bromo-6-iodo-3-methoxypyridine are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 101.58; (6)ACD/BCF (pH 7.4): 101.58; (7)ACD/KOC (pH 5.5): 950.79; (8)ACD/KOC (pH 7.4): 950.79; (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: 1.63; (14)Molar Refractivity: 51.61 cm3; (15)Molar Volume: 144.9 cm3; (16)Polarizability: 20.46×10-24 cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 2.166 g/cm3; (19)Flash Point: 144.7 °C; (20)Enthalpy of Vaporization: 53.47 kJ/mol; (21)Boiling Point: 315.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000799 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(nc1Br)I
(2) InChI: InChI=1/C6H5BrINO/c1-10-4-2-3-5(8)9-6(4)7/h2-3H,1H3
(3) InChIKey: LHDNVVCKJSWJKM-UHFFFAOYAT