The 4-Chloro-3-cyano-7-hydroxy-6-methoxyquinoline, with the CAS registry number 263149-10-6, is also known as 4-Chloro-7-hydroxy-6-methoxyquinoline-3-carbonitrile. This chemical's molecular formula is C11H7ClN2O2 and molecular weight is 234.64. What's more, its systematic name is called 4-Chloro-7-hydroxy-6-methoxy-3-quinolinecarbonitrile.
Physical properties about 4-Chloro-3-cyano-7-hydroxy-6-methoxyquinoline are: (1)ACD/LogP: 2.006; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.00; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 19.40; (6)ACD/BCF (pH 7.4): 8.83; (7)ACD/KOC (pH 5.5): 289.42; (8)ACD/KOC (pH 7.4): 131.79; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.14 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 59.397 cm3; (15)Molar Volume: 157.639 cm3; (16)Polarizability: 23.547×10-24cm3; (17)Surface Tension: 75.35 dyne/cm; (18)Density: 1.488 g/cm3; (19)Flash Point: 219.272 °C; (20)Enthalpy of Vaporization: 72.266 kJ/mol; (21)Boiling Point: 438.954 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc2ncc(C#N)c(Cl)c2cc1OC
(2) InChI: InChI=1S/C11H7ClN2O2/c1-16-10-2-7-8(3-9(10)15)14-5-6(4-13)11(7)12/h2-3,5,15H,1H3
(3) InChIKey: QIORUBTUDLGIII-UHFFFAOYSA-N
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