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| CAS No.: | 2134-36-3 |
|---|---|
| Name: | ETHYL 4-CHLORO-2-METHYLPYRIMIDINE-5-CARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C8H9ClN2O2 |
| Molecular Weight: | 200.625 |
| Synonyms: | Ethyl 4-chloro-2-methyl-5-pyrimidinecarboxylate; |
| Density: | 1.266 g/cm3 |
| Melting Point: | 31 °C |
| Boiling Point: | 276.187 °C at 760 mmHg |
| Flash Point: | 120.834 °C |
| PSA: | 52.08000 |
| LogP: | 1.61510 |
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Specification
The Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate, with the CAS registry number 2134-36-3, is also known as 5-Pyrimidinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester. This chemical's molecular formula is C8H9ClN2O2 and molecular weight is 200.62. What's more, its systematic name is Ethyl 4-chloro-2-methyl-5-pyrimidinecarboxylate.
Physical properties of Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate are: (1)ACD/LogP: 1.048; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.68; (6)ACD/BCF (pH 7.4): 3.68; (7)ACD/KOC (pH 5.5): 88.50; (8)ACD/KOC (pH 7.4): 88.50; (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: 1.524; (14)Molar Refractivity: 48.561 cm3; (15)Molar Volume: 158.506 cm3; (16)Polarizability: 19.251×10-24cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 120.834 °C; (20)Enthalpy of Vaporization: 51.468 kJ/mol; (21)Boiling Point: 276.187 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(C)ncc1C(=O)OCC
(2)Std. InChI: InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-4-10-5(2)11-7(6)9/h4H,3H2,1-2H3
(3)Std. InChIKey: LXIAVLIGRIDNHQ-UHFFFAOYSA-N