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| CAS No.: | 178421-22-2 |
|---|---|
| Name: | Methyl 6-chloro-5-methylpicolinate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H8ClNO2 |
| Molecular Weight: | 185.61 |
| Synonyms: | Methyl 6-chloro-5-methyl-2-pyridinecarboxylate; |
| Density: | 1.248 g/cm3 |
| Boiling Point: | 298.13 °C at 760 mmHg |
| Flash Point: | 134.104 °C |
| PSA: | 39.19000 |
| LogP: | 1.83000 |
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Specification
The CAS registry number of Methyl 6-chloro-5-methylpicolinate is 178421-22-2. This chemical's molecular formula is C8H8ClNO2 and molecular weight is 185.61. What's more, its systematic name is called Methyl 6-chloro-5-methyl-2-pyridinecarboxylate.
Physical properties about Methyl 6-chloro-5-methylpicolinate are: (1)ACD/LogP: 1.695; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.70; (4)ACD/LogD (pH 7.4): 1.70; (5)ACD/BCF (pH 5.5): 11.44; (6)ACD/BCF (pH 7.4): 11.44; (7)ACD/KOC (pH 5.5): 199.15; (8)ACD/KOC (pH 7.4): 199.15; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12) Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 45.837 cm3; (15)Molar Volume: 148.776 cm3; (16)Polarizability: 18.171×10-24cm3; (17)Surface Tension: 42.464 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 134.104 °C; (20)Enthalpy of Vaporization: 53.803 kJ/mol; (21)Boiling Point: 298.13 °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: Cc1ccc(nc1Cl)C(=O)OC
(2) InChI: InChI=1S/C8H8ClNO2/c1-5-3-4-6(8(11)12-2)10-7(5)9/h3-4H,1-2H3
(3) InChIKey: AMIHCSRDGRJMTO-UHFFFAOYSA-N