Basic information
- Name:
Quinoline,3-chloro-7-methoxy-
- CAS No.:
858279-19-3
- Molecular Structure:
- Formula:
- C10H8ClNO
- Molecular Weight:
- 193.632
- Density:
- 1.268 g/cm3
- Boiling Point:
- 299.804 °C at 760 mmHg
- Flash Point:
- 135.117 °C
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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