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CAS No.: | 89488-29-9 |
---|---|
Name: | 2-Bromo-4-methoxypyridine |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H6BrNO |
Molecular Weight: | 188.024 |
Synonyms: | 2-bromo-4-methoxypyridine |
Density: | 1.53 g/cm3 |
Boiling Point: | 231.1 °C at 760 mmHg |
Flash Point: | 93.5 °C |
PSA: | 22.12000 |
LogP: | 1.85270 |
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This chemical has the systematic name 2-Bromo-4-methoxypyridine. With the CAS registry number 89488-29-9, it is also known as pyridine, 2-bromo-4-methoxy-. Its molecular formula is C6H6BrNO and its molecular weight is 188.02. Additionally, its product categories are Blocks; Bromides; Pyridines; Heterocyclic Series; Pyridine.
Other characteristics of the 2-Bromo-4-methoxypyridine can be summarised as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 17.09; (6)ACD/BCF (pH 7.4): 17.1; (7)ACD/KOC (pH 5.5): 265.47; (8)ACD/KOC (pH 7.4): 265.57; (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: 1.542; (14)Molar Refractivity: 38.71 cm3; (15)Molar Volume: 122.8 cm3; (16)Polarizability: 15.34×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.53 g/cm3; (19)Flash Point: 93.5 °C; (20)Enthalpy of Vaporization: 44.87 kJ/mol; (21)Boiling Point: 231.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0965 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1ccnc(c1)Br
2.InChI: InChI=1/C6H6BrNO/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3
3.InChIKey: AWBDARKONATUHX-UHFFFAOYAS