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3-Quinolinecarbonitrile,4-chloro-6-methoxy-

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Name

3-Quinolinecarbonitrile,4-chloro-6-methoxy-

EINECS
CAS No. 13669-62-0 Density 1.36g/cm3
Solubility Melting Point
Formula C11H7ClN2O Boiling Point 385.3 °C at 760 mmHg
Molecular Weight 218.63908 Flash Point 186.8 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 13669-62-0 (3-Quinolinecarbonitrile,4-chloro-6-methoxy-) Hazard Symbols
Synonyms

4-Chloro-6-methoxyquinoline-3-carbonitrile;4-Chloro-6-(methyloxy)-3-quinolinecarbonitrile;

 

3-Quinolinecarbonitrile,4-chloro-6-methoxy- Specification

The 3-Quinolinecarbonitrile,4-chloro-6-methoxy-, with CAS registry number 13669-62-0, belongs to the following product category: Quinoline & Isoquinoline. It has the systematic name of 4-chloro-6-methoxyquinoline-3-carbonitrile. And the chemical formula of this chemical is C11H7ClN2O.

Physical properties of 3-Quinolinecarbonitrile,4-chloro-6-methoxy-: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 34.17; (6)ACD/BCF (pH 7.4): 34.17; (7)ACD/KOC (pH 5.5): 435.88; (8)ACD/KOC (pH 7.4): 435.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.91 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 57.86 cm3; (15)Molar Volume: 160.5 cm3; (16)Polarizability: 22.94×10-24cm3; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 186.8 °C; (20)Enthalpy of Vaporization: 63.41 kJ/mol; (21)Boiling Point: 385.3 °C at 760 mmHg; (22)Vapour Pressure: 3.84E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2ncc(C#N)c(Cl)c2c1
(2)InChI: InChI=1/C11H7ClN2O/c1-15-8-2-3-10-9(4-8)11(12)7(5-13)6-14-10/h2-4,6H,1H3
(3)InChIKey: VIKNILFXAQPQEF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C11H7ClN2O/c1-15-8-2-3-10-9(4-8)11(12)7(5-13)6-14-10/h2-4,6H,1H3
(5)Std. InChIKey: VIKNILFXAQPQEF-UHFFFAOYSA-N

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