Name: 4-CHLORO-7-HYDROXY-6-METHOXY-QUINOLINE-3-CARBONITRILE
SKU: 263149-10-6

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Basic Information

Molecular Structure:
CAS No.:	263149-10-6
Name:	4-CHLORO-7-HYDROXY-6-METHOXY-QUINOLINE-3-CARBONITRILE
Article Data:	7

Formula:	C₁₁H₇ClN₂O₂
Molecular Weight:	234.642
Synonyms:	4-Chloro-7-hydroxy-6-methoxy-3-quinolinecarbonitrile;
EINECS:	1592732-453-0
Density:	1.488 g/cm³
Boiling Point:	438.954 °C at 760 mmHg
Flash Point:	219.272 °C
PSA:	66.14000
LogP:	2.47408

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Specification

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