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944709-74-4

Basic Information
CAS No.: 944709-74-4
Name: 2-Bromo-6-methoxypyrimidine
Molecular Structure:
Molecular Structure of 944709-74-4 (2-Bromo-6-methoxypyrimidine)
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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Specification

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