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214470-55-0

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Basic Information
CAS No.: 214470-55-0
Name: 4-CHLORO-6,7-DIMETHOXY-QUINOLINE-3-CARBONITRILE
Article Data: 17
Molecular Structure:
Molecular Structure of 214470-55-0 (4-CHLORO-6,7-DIMETHOXY-QUINOLINE-3-CARBONITRILE)
Formula: C12H9ClN2O2
Molecular Weight: 248.669
Synonyms: 4-Chloro-3-cyano-6,7-dimethoxyquinoline;
Density: 1.361 g/cm3
Melting Point: 220-223 °C
Boiling Point: 404.22 °C at 760 mmHg
Flash Point: 198.266 °C
PSA: 55.14000
LogP: 2.77708
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Specification

The 3-Quinolinecarbonitrile,4-chloro-6,7-dimethoxy-, with the CAS registry number 214470-55-0, is also known as 4-Chlor-6,7-dimethoxychinolin-3-carbonitril. This chemical's molecular formula is C12H9ClN2O2 and molecular weight is 248.66506. What's more, both its IUPAC name and systematic name are the same which is called 4-Chloro-6,7-dimethoxyquinoline-3-carbonitrile.

Physical properties about 3-Quinolinecarbonitrile,4-chloro-6,7-dimethoxy- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 45; (6)ACD/BCF (pH 7.4): 45; (7)ACD/KOC (pH 5.5): 531; (8)ACD/KOC (pH 7.4): 531; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.14 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 64.233 cm3; (15)Molar Volume: 182.688 cm3; (16)Surface Tension: 59.713 dyne/cm; (17)Density: 1.361 g/cm3; (18)Flash Point: 198.266 °C; (19)Enthalpy of Vaporization: 65.563 kJ/mol; (20)Boiling Point: 404.22 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c2cc(OC)c(OC)cc2ncc1C#N
(2) InChI: InChI=1/C12H9ClN2O2/c1-16-10-3-8-9(4-11(10)17-2)15-6-7(5-14)12(8)13/h3-4,6H,1-2H3
(3) InChIKey: HMLOMVBFQJAMCN-UHFFFAOYAC