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| CAS No.: | 884494-85-3 |
|---|---|
| Name: | 5-Choro-6-methoxynicotinic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H6ClNO3 |
| Molecular Weight: | 187.583 |
| Synonyms: | 5-Chloro-6-methoxynicotinicacid; |
| Density: | 1.43 g/cm3 |
| Boiling Point: | 296.7 °C at 760 mmHg |
| Flash Point: | 133.2 °C |
| PSA: | 59.42000 |
| LogP: | 1.44180 |
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Specification
The 5-Choro-6-methoxynicotinic acid is an organic compound with the formula C7H6ClNO3. The systematic name of this chemical is 5-chloro-6-methoxypyridine-3-carboxylic acid. With the CAS registry number 884494-85-3, it is also named as 3-Pyridinecarboxylic acid, 5-chloro-6-methoxy-. The product's category is Boronic Acid.
Physical properties about 5-Choro-6-methoxynicotinic acid are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 0.05 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.92; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 59.42 Å2; (11)Index of Refraction: 1.567; (12)Molar Refractivity: 42.84 cm3; (13)Molar Volume: 131.1 cm3; (14)Polarizability: 16.98×10-24cm3; (15)Surface Tension: 54.3 dyne/cm; (16)Density: 1.43 g/cm3; (17)Flash Point: 133.2 °C; (18)Enthalpy of Vaporization: 56.65 kJ/mol; (19)Boiling Point: 296.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000637 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cnc1OC)C(O)=O
(2)InChI: InChI=1/C7H6ClNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3H,1H3,(H,10,11)
(3)InChIKey: FUBFUAARMGZWPE-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H6ClNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3H,1H3,(H,10,11)
(5)Std. InChIKey: FUBFUAARMGZWPE-UHFFFAOYSA-N