5-Bromo-2-methylpyrimidine-4-carboxylic acid ethyl ester (83410-38-2)

The 5-Bromo-2-methylpyrimidine-4-carboxylic acid ethyl ester with the CAS number 83410-38-2 is also called ethyl 5-bromo-2-methylpyrimidine-4-carboxylate. Its molecular formula is C₈H₉BrN₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.934; (4)ACD/LogD (pH 7.4): 1.934; (5)ACD/BCF (pH 5.5): 17.37; (6)ACD/BCF (pH 7.4): 17.37; (7)ACD/KOC (pH 5.5): 268.572; (8)ACD/KOC (pH 7.4): 268.572; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 51.357 cm³; (15)Molar Volume: 162.74 cm³; (16)Polarizability: 20.359×10^-24cm³; (17)Surface Tension: 47.994 dyne/cm; (18)Enthalpy of Vaporization: 52.991 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c(cnc(n1)C)Br
(2)InChI: InChI=1/C8H9BrN2O2/c1-3-13-8(12)7-6(9)4-10-5(2)11-7/h4H,3H2,1-2H3
(3)InChIKey: JGNFJQXAJBLYED-UHFFFAOYAI