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5-Bromo-2-methylpyrimidine-4-carboxylic acid ethyl ester

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Name

5-Bromo-2-methylpyrimidine-4-carboxylic acid ethyl ester

EINECS N/A
CAS No. 83410-38-2 Density 1.506 g/cm3
PSA 52.08000 LogP 1.72420
Solubility N/A Melting Point N/A
Formula C8H9BrN2O2 Boiling Point 290.537 °C at 760 mmHg
Molecular Weight 245.076 Flash Point 129.512 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 83410-38-2 (5-Bromo-2-methylpyrimidine-4-carboxylic acid ethyl ester) Hazard Symbols N/A
Synonyms

ethyl 5-bromo-2-methylpyrimidine-4-carboxylate;

Article Data 2

5-Bromo-2-methylpyrimidine-4-carboxylic acid ethyl ester Specification

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 

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