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CAS No.: | 577967-89-6 |
---|---|
Name: | 2-Chloro-6-hydroxyquinoline |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C9H6ClNO |
Molecular Weight: | 179.606 |
Synonyms: | 2-Chloroquinolin-6-ol; |
Density: | 1.412 g/cm3 |
Melting Point: | 342.054 °C at 760 mmHg |
Boiling Point: | 160.669 °C |
PSA: | 33.12000 |
LogP: | 2.59380 |
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The 6-Quinolinol, 2-chloro-, with the CAS registry number 577967-89-6, is also known as 2-Chloro-6-quinolinol. This chemical's molecular formula is C9H6ClNO and molecular weight is 179.60. What's more, its IUPAC name is called 2-Chloroquinolin-6-ol.
Physical properties about 6-Quinolinol, 2-chloro- are: (1)ACD/LogP: 2.426; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 41.05; (6)ACD/BCF (pH 7.4): 37.67; (7)ACD/KOC (pH 5.5): 496.91; (8)ACD/KOC (pH 7.4): 456.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 48.963 cm3; (15)Molar Volume: 127.154 cm3; (16)Polarizability: 19.411×10-24cm3; (17)Surface Tension: 61.539 dyne/cm; (18)Density: 1.412 g/cm3; (19)Flash Point: 160.669 °C; (20)Enthalpy of Vaporization: 60.895 kJ/mol; (21)Boiling Point: 342.054 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(nc2c1cc(cc2)O)Cl
(2) InChI: InChI=1S/C9H6ClNO/c10-9-4-1-6-5-7(12)2-3-8(6)11-9/h1-5,12H
(3) InChIKey: XANCOYIVTNZKOE-UHFFFAOYSA-N