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| CAS No.: | 99878-79-2 |
|---|---|
| Name: | 4-CHLORO-7,8-DIMETHOXYQUINOLINE |
| Article Data: | 2 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C11H10ClNO2 |
| Molecular Weight: | 223.659 |
| Synonyms: | NSC 382169; |
| Density: | 1.265 g/cm3 |
| Boiling Point: | 325.197 °C at 760 mmHg |
| Flash Point: | 150.474 °C |
| PSA: | 31.35000 |
| LogP: | 2.90540 |
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- Total:23 Page 1 of 1 1
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Specification
The Quinoline,4-chloro-7,8-dimethoxy-, with its CAS registry number 99878-79-2, has the systematic name of 4-chloro-7,8-dimethoxyquinoline. And it has the molecular formula of C11H10ClNO2 and the molecular weight of 223.66.
The characteristics of Quinoline,4-chloro-7,8-dimethoxy- are as follows: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 31.35 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 60.43 cm3; (9)Molar Volume: 176.7 cm3; (10)Polarizability: 23.95×10-24cm3; (11)Surface Tension: 43.7 dyne/cm; (12)Density: 1.265 g/cm3; (13)Flash Point: 150.5 °C; (14)Enthalpy of Vaporization: 54.47 kJ/mol; (15)Boiling Point: 325.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000443 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Clc1c2ccc(OC)c(OC)c2ncc1
(2)InChI:InChI=1/C11H10ClNO2/c1-14-9-4-3-7-8(12)5-6-13-10(7)11(9)15-2/h3-6H,1-2H3
(3)InChIKey:CILQDBAXEWYDIH-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C11H10ClNO2/c1-14-9-4-3-7-8(12)5-6-13-10(7)11(9)15-2/h3-6H,1-2H3
(5)Std. InChIKey:CILQDBAXEWYDIH-UHFFFAOYSA-N