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CAS No.: | 143250-10-6 |
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Name: | 2-BROMO-5-METHOXYPYRAZINE |
Molecular Structure: | |
Formula: | C5H5BrN2O |
Molecular Weight: | 189.011 |
Synonyms: | 2-Bromo-5-methoxy-1,4-diazine;5-bromo-2-methoxypyrazine; |
Density: | 1.628 g/cm3 |
Melting Point: | 103-104 °C |
Boiling Point: | 208.483 °C at 760 mmHg |
Flash Point: | 79.888 °C |
PSA: | 35.01000 |
LogP: | 1.24770 |
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The Pyrazine, 2-bromo-5-methoxy- is an organic compound with the formula C5H5BrN2O. The IUPAC name of this chemical is 2-bromo-5-methoxypyrazine and the CAS registry number is 143250-10-6. The product's categories are Halides; Pyrazines, Pyrimidines & Pyridazines; Pyrazines, Pyrimidines & Pyridazines. In addition, its molecular weight is 189.01
Other characteristics of the Pyrazine, 2-bromo-5-methoxy- can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.829; (4)ACD/LogD (pH 7.4): 1.829; (5)ACD/BCF (pH 5.5): 14.466; (6)ACD/BCF (pH 7.4): 14.466; (7)ACD/KOC (pH 5.5): 235.617; (8)ACD/KOC (pH 7.4): 235.617; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 36.804 cm3; (15)Molar Volume: 116.068 cm3; (16)Polarizability: 14.59×10-24cm3; (17)Surface Tension: 46.281 dyne/cm; (18)Density: 1.628 g/cm3; (19)Flash Point: 79.888 °C; (20)Enthalpy of Vaporization: 42.66 kJ/mol; (21)Boiling Point: 208.483 °C at 760 mmHg; (22)Vapour Pressure: 0.307 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: COc1cnc(cn1)Br
2.InChI: InChI=1/C5H5BrN2O/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3
3.InChIKey: YMDHKDFBWIRZAZ-UHFFFAOYAD