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| CAS No.: | 887589-43-7 |
|---|---|
| Name: | 6-bromo-4-chloro-2-quinolinecarboxylic acid |
| Molecular Structure: | |
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| Formula: | C10H5BrClNO2 |
| Molecular Weight: | 286.51 |
| Synonyms: | 2-Quinolinecarboxylic acid, 6-bromo-4-chloro-; |
| Density: | 1.819 g/cm3 |
| Boiling Point: | 409.6 °C at 760 mmHg |
| Flash Point: | 201.5 °C |
| PSA: | 50.19000 |
| LogP: | 3.34890 |
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- Total:19 Page 1 of 1 1
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Specification
The 6-Bromo-4-chloro-2-quinolinecarboxylic acid, with the cas registry number of 887589-43-7, is also known as 2-Quinolinecarboxylic acid, 6-bromo-4-chloro-. This chemical's molecular formula is C10H5BrClNO2 and formula weight is 286.512. What's more, its systematic name is called 6-Bromo-4-chloro-quinoline-2-carboxylic acid.
Physical properties about this chemical are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 0.53 ; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 50.19 Å2; (9)Index of Refraction: 1.712; (10)Molar Refractivity: 61.7 cm3; (11)Molar Volume: 157.4 cm3; (12)Surface Tension: 68.9 dyne/cm; (13)Enthalpy of Vaporization: 69.78 kJ/mol; (14)Vapour Pressure: 1.92E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)c(cc(n2)C(=O)O)Cl;
(2)InChI: InChI=1/C10H5BrClNO2/c11-5-1-2-8-6(3-5)7(12)4-9(13-8)10(14)15/h1-4H,(H,14,15);
(3)InChIKey: PJRWJJGCTINMBV-UHFFFAOYAY;
(4)Std. InChI: InChI=1S/C10H5BrClNO2/c11-5-1-2-8-6(3-5)7(12)4-9(13-8)10(14)15/h1-4H,(H,14,15);
(5)Std. InChIKey: PJRWJJGCTINMBV-UHFFFAOYSA-N.