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CAS No.: | 847547-91-5 |
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Name: | 4-Quinolinecarboxylicacid,2-chloro-3-hydroxy-(9CI) |
Molecular Structure: | |
Formula: | C10H6ClNO3 |
Molecular Weight: | 223.616 |
Synonyms: | 2-Chloro-3-hydroxy-4-quinolinecarboxylic acid; |
Density: | 1.601 g/cm3 |
Boiling Point: | 377.566 °C at 760 mmHg |
Flash Point: | 182.145 °C |
PSA: | 70.42000 |
LogP: | 2.29200 |
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The 2-Chloro-3-hydroxyquinoline-4-carboxylic acid, with the CAS registry number 847547-91-5, is also known as 2-Chloro-3-hydroxy-4-quinolinecarboxylic acid. This chemical's molecular formula is C10H6ClNO3 and molecular weight is 223.61. What's more, its systematic name is 2-Chloro-3-hydroxy-4-quinolinecarboxylic acid.
Physical properties of 2-Chloro-3-hydroxyquinoline-4-carboxylic acid are: (1)ACD/LogP: 3.889; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.35; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 70.42 Å2; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 55.893 cm3; (15)Molar Volume: 139.683 cm3; (16)Polarizability: 22.158×10-24cm3; (17)Surface Tension: 80.39 dyne/cm; (18)Density: 1.601 g/cm3; (19)Flash Point: 182.145 °C; (20)Enthalpy of Vaporization: 65.968 kJ/mol; (21)Boiling Point: 377.566 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1c2ccccc2nc(Cl)c1O
(2)Std. InChI: InChI=1S/C10H6ClNO3/c11-9-8(13)7(10(14)15)5-3-1-2-4-6(5)12-9/h1-4,13H,(H,14,15)
(3)Std. InChIKey: RPGQCGYSROBDNQ-UHFFFAOYSA-N