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CAS No.: | 944709-74-4 |
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Name: | 2-Bromo-6-methoxypyrimidine |
Molecular Structure: | |
Formula: | C5H5BrN2O |
Molecular Weight: | 189.012 |
Synonyms: | 2-bromo-4-methoxypyrimidine |
Density: | 1.628 g/cm3 |
Boiling Point: | 293.7 °C at 760 mmHg |
Flash Point: | 131.4 °C |
PSA: | 35.01000 |
LogP: | 1.24770 |
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The 2-Bromo-4-methoxy-pyrimidine is an organic compound with the formula C5H5BrN2O. The systematic name of this chemical is 2-bromo-4-methoxy-pyrimidine. With the CAS registry number 944709-74-4, it is also named as 2-Bromo-6-methoxypyrimidine.
Physical properties about 2-Bromo-4-methoxy-pyrimidine are: (1)ACD/LogP: 0.42; (2)ACD/LogD (pH 5.5): 0.42; (3)ACD/LogD (pH 7.4): 0.42; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.01 Å2; (7)Index of Refraction: 1.546; (8)Molar Refractivity: 36.8 cm3; (9)Molar Volume: 116 cm3; (10)Polarizability: 14.59×10-24cm3; (11)Surface Tension: 46.2 dyne/cm; (12)Density: 1.628 g/cm3; (13)Flash Point: 131.4 °C; (14)Enthalpy of Vaporization: 51.19 kJ/mol; (15)Boiling Point: 293.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00298 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccnc(Br)n1
(2)InChI: InChI=1/C5H5BrN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
(3)InChIKey: OHOBULDCIMBMDH-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H5BrN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
(5)Std. InChIKey: OHOBULDCIMBMDH-UHFFFAOYSA-N