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| CAS No.: | 170621-86-0 |
|---|---|
| Name: | 4-Chloro-3-methoxypyridine-2-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C7H6ClNO3 |
| Molecular Weight: | 187.583 |
| Synonyms: | 4-CHLORO-3-METHOXYPYRIDINE-2-CARBOXYLIC ACID;4-chloro-3-methoxypicolinic acid |
| Density: | 1.43 g/cm3 |
| Boiling Point: | 328.5 °C at 760 mmHg |
| Flash Point: | 152.5 °C |
| PSA: | 59.42000 |
| LogP: | 1.44180 |
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Specification
The systematic name of this chemical is 4-Chloro-3-methoxypyridine-2-carboxylic acid. It has CAS registry number 170621-86-0. In addition, its molecular formula is C7H6ClNO3 and molecular weight is 187.5804.
Physical properties about the 4-Chloro-3-methoxypyridine-2-carboxylic acid are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (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)Surface Tension: 54.3 dyne/cm; (15)Density: 1.43 g/cm3; (16)Flash Point: 152.5 °C; (17)Enthalpy of Vaporization: 60.26 kJ/mol; (18)Boiling Point: 328.5 °C at 760 mmHg; (19)Vapour Pressure: 7.62E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1nccc(Cl)c1OC
(2) InChI: InChI=1/C7H6ClNO3/c1-12-6-4(8)2-3-9-5(6)7(10)11/h2-3H,1H3,(H,10,11)
(3) InChIKey: HRIXILRILGXVGH-UHFFFAOYAM