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CAS No.: | 1122090-50-9 |
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Name: | Ethyl 6-chloro-4-methylpyridine-2-carboxylate |
Article Data: | 7 |
Cas Database | |
Molecular Structure: | |
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Formula: | C9H10ClNO2 |
Molecular Weight: | 199.6342 |
Synonyms: | 2-Pyridinecarboxylic acid, 6-chloro-4-methyl-, ethyl ester; |
Density: | 1.208 g/cm3 |
Boiling Point: | 311.538 °C at 760 mmHg |
Flash Point: | 142.213 °C |
PSA: | 39.19000 |
LogP: | 2.22010 |
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The Ethyl 6-chloro-4-methylpyridine-2-carboxylate, with the CAS registry number 1122090-50-9, is also known as 2-Pyridinecarboxylic acid, 6-chloro-4-methyl-, ethyl ester. This chemical's molecular formula is C9H10ClNO2 and molecular weight is 199.6342. What's more, its systematic name is Ethyl 6-chloro-4-methyl-pyridine-2-carboxylate.
Physical properties about Ethyl 6-chloro-4-methylpyridine-2-carboxylate are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.618; (4)ACD/LogD (pH 7.4): 2.618; (5)ACD/BCF (pH 5.5): 57.506; (6)ACD/BCF (pH 7.4): 57.506; (7)ACD/KOC (pH 5.5): 632.722; (8)ACD/KOC (pH 7.4): 632.724; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 50.47 cm3; (15)Molar Volume: 165.283 cm3; (16)Polarizability: 20.008×10-24 cm3; (17)Surface Tension: 41.524 dyne/cm; (18)Density: 1.208 g/cm3; (19)Flash Point: 142.213 °C; (20)Enthalpy of Vaporization: 55.246 kJ/mol; (21)Boiling Point: 311.538 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cc(cc(n1)Cl)C
(2) InChI: InChI=1/C9H10ClNO2/c1-3-13-9(12)7-4-6(2)5-8(10)11-7/h4-5H,3H2,1-2H3
(3) InChIKey: OHUJWVBOFOMHFC-UHFFFAOYAE