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858279-19-3

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Basic Information
CAS No.: 858279-19-3
Name: Quinoline, 3-chloro-7-methoxy-
Molecular Structure:
Molecular Structure of 858279-19-3 (Quinoline, 3-chloro-7-methoxy-)
Formula: C10H8ClNO
Molecular Weight: 193.633
Synonyms: 3-Chloro-7-methoxyquinoline; quinoline, 3-chloro-7-methoxy-; LogP
Density: 1.268 g/cm3
Melting Point: 91 °C
Boiling Point: 299.804 °C at 760 mmHg
Flash Point: 135.117 °C
PSA: 22.12000
LogP: 2.89680
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Specification

The Quinoline,3-chloro-7-methoxy-, with CAS registry number 858279-19-3, has the systematic name of 3-chloro-7-methoxy-quinoline. Its molecular weight is 193.632. And the chemical formula of this chemical is C10H8ClNO.

Physical properties of Quinoline,3-chloro-7-methoxy-: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.394; (4)ACD/LogD (pH 7.4): 3.395; (5)ACD/BCF (pH 5.5): 223.575; (6)ACD/BCF (pH 7.4): 224.108; (7)ACD/KOC (pH 5.5): 1671.195; (8)ACD/KOC (pH 7.4): 1675.176; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 53.76 cm3; (15)Molar Volume: 152.726 cm3; (16)Polarizability: 21.312×10-24cm3; (17)Surface Tension: 46.023 dyne/cm; (18)Density: 1.268 g/cm3; (19)Flash Point: 135.117 °C; (20)Enthalpy of Vaporization: 51.824 kJ/mol; (21)Boiling Point: 299.804 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2cc(cnc2c1)Cl
(2)InChI: InChI=1/C10H8ClNO/c1-13-9-3-2-7-4-8(11)6-12-10(7)5-9/h2-6H,1H3
(3)InChIKey: PAEDEQPANBVNRY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H8ClNO/c1-13-9-3-2-7-4-8(11)6-12-10(7)5-9/h2-6H,1H3
(5)Std. InChIKey: PAEDEQPANBVNRY-UHFFFAOYSA-N