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| CAS No.: | 6214-47-7 |
|---|---|
| Name: | 4-Chloro-5-pyrimidineacetic acid ethyl ester |
| Molecular Structure: | |
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| Formula: | C8H9ClN2O2 |
| Molecular Weight: | 200.625 |
| Synonyms: | 4-Chloro-5-pyrimidineacetic acid ethyl ester; |
| Density: | 1.277 g/cm3 |
| Boiling Point: | 289.286 °C at 760 mmHg |
| Flash Point: | 128.756 °C |
| PSA: | 52.08000 |
| LogP: | 1.23560 |
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Specification
The 5-Pyrimidineaceticacid, 4-chloro-, ethyl ester, with the CAS registry number of 6214-47-7, is also known as 4-Chloro-5-pyrimidineacetic acid ethyl ester. This chemical's molecular formula is C8H9ClN2O2 and molecular weight is 200.624. What's more, its systematic name is called Ethyl 2-(4-chloropyrimidin-5-yl)acetate.
Physical properties about 5-Pyrimidineaceticacid, 4-chloro-, ethyl ester are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.035; (4)ACD/LogD (pH 7.4): 0.035; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.898; (8)ACD/KOC (pH 7.4): 24.898; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 47.92 cm3; (15)Molar Volume: 157.145 cm3; (16)Polarizability: 18.997×10-24 cm3; (17)Surface Tension: 47.403 dyne/cm; (18)Density: 1.277 g/cm3; (19)Flash Point: 128.756 °C; (20)Enthalpy of Vaporization: 52.858 kJ/mol; (21)Boiling Point: 289.286 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)Cc1cncnc1Cl
(2) InChI: InChI=1/C8H9ClN2O2/c1-2-13-7(12)3-6-4-10-5-11-8(6)9/h4-5H,2-3H2,1H3
(3) InChIKey: HEDARYMFTQTCTI-UHFFFAOYAI