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| CAS No.: | 185423-02-3 |
|---|---|
| Name: | 2-CHLORO-3-HYDROXYISONICOTINIC ACID |
| Molecular Structure: | |
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| Formula: | C6H4ClNO3 |
| Molecular Weight: | 173.55 |
| Synonyms: | 2-Chloro-3-hydroxyisonicotinic acid; |
| Density: | 1.643 g/cm3 |
| Boiling Point: | 538.2 °C at 760 mmHg |
| Flash Point: | 279.3 °C |
| PSA: | 70.42000 |
| LogP: | 1.13880 |
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Specification
The 4-Pyridinecarboxylicacid, 2-chloro-3-hydroxy-, with the CAS registry number 185423-02-3, is also known as 2-Chloro-3-hydroxyisonicotinic acid. It belongs to the product category of Pyridines. This chemical's molecular formula is C6H4ClNO3 and molecular weight is 173.55. Its systematic name is called 2-chloro-3-hydroxypyridine-4-carboxylic acid.
Physical properties of 4-Pyridinecarboxylicacid, 2-chloro-3-hydroxy-: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): -0.74; (3)ACD/LogD (pH 7.4): -0.75; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.64; (12)Molar Refractivity: 38.05 cm3; (13)Molar Volume: 105.5 cm3; (14)Surface Tension: 78.7 dyne/cm; (15)Density: 1.643 g/cm3; (16)Flash Point: 279.3 °C; (17)Enthalpy of Vaporization: 85.81 kJ/mol; (18)Boiling Point: 538.2 °C at 760 mmHg; (19)Vapour Pressure: 2.06E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nccc(C(=O)O)c1O
(2)InChI: InChI=1/C6H4ClNO3/c7-5-4(9)3(6(10)11)1-2-8-5/h1-2,9H,(H,10,11)
(3)InChIKey: OCZTVFQQUDHTGW-UHFFFAOYAQ