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6-Bromo-4-chloro-2-quinolinecarboxylic acid

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Name

6-Bromo-4-chloro-2-quinolinecarboxylic acid

EINECS N/A
CAS No. 887589-43-7 Density 1.819 g/cm3
PSA 50.19000 LogP 3.34890
Solubility N/A Melting Point N/A
Formula C10H5BrClNO2 Boiling Point 409.6 °C at 760 mmHg
Molecular Weight 286.51 Flash Point 201.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 887589-43-7 (6-bromo-4-chloro-2-quinolinecarboxylic  acid) Hazard Symbols N/A
Synonyms

2-Quinolinecarboxylic acid, 6-bromo-4-chloro-;

 

6-Bromo-4-chloro-2-quinolinecarboxylic acid 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.

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