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2-Bromo-4-methoxy-pyrimidine

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Name

2-Bromo-4-methoxy-pyrimidine

EINECS N/A
CAS No. 944709-74-4 Density 1.628 g/cm3
PSA 35.01000 LogP 1.24770
Solubility N/A Melting Point N/A
Formula C5H5BrN2O Boiling Point 293.7 °C at 760 mmHg
Molecular Weight 189.012 Flash Point 131.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 944709-74-4 (2-Bromo-6-methoxypyrimidine) Hazard Symbols N/A
Synonyms

2-bromo-4-methoxypyrimidine

 

2-Bromo-4-methoxy-pyrimidine 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

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