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CAS No.: | 52605-98-8 |
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Name: | 5-Bromo-2,3-dimethoxypyridine |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C7H8BrNO2 |
Molecular Weight: | 218.05 |
Synonyms: | 5-Bromo-2, 3-dimethoxypyridine; |
Density: | 1.485 g/cm3 |
Boiling Point: | 222.676 °C at 760 mmHg |
Flash Point: | 88.471 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 31.35000 |
LogP: | 1.86130 |
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The Pyridine, 5-bromo-2, 3-dimethoxy-, with the CAS registry number 52605-98-8, is also known as 2, 3-Dimethoxy-5-bromopyridine. This chemical's molecular formula is C7H8BrNO2 and molecular weight is 218.05. What's more, its systematic name is 5-Bromo-2, 3-dimethoxypyridine.
Physical properties about Pyridine, 5-bromo-2, 3-dimethoxy- are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 109; (6)ACD/BCF (pH 7.4): 109; (7)ACD/KOC (pH 5.5): 1001; (8)ACD/KOC (pH 7.4): 1001; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.35 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 45.391 cm3; (15)Molar Volume: 146.847 cm3; (16)Polarizability: 17.995×10-24 cm3; (17)Surface Tension: 38.277 dyne/cm; (18)Density: 1.485 g/cm3; (19)Flash Point: 88.471 °C; (20)Enthalpy of Vaporization: 44.046 kJ/mol; (21)Boiling Point: 222.676 °C at 760 mmHg; (22)Vapour Pressure: 0.149 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ncc(Br)cc1OC
(2) InChI: InChI=1/C7H8BrNO2/c1-10-6-3-5(8)4-9-7(6)11-2/h3-4H,1-2H3
(3) InChIKey: VSXDRIVAPWWONE-UHFFFAOYAS