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6-bromo-4-chloro-2-quinolinecarboxylic acid (887589-43-7)

Identification
Name:6-bromo-4-chloro-2-quinolinecarboxylic acid
Synonyms:2-Quinolinecarboxylic acid, 6-bromo-4-chloro-;
CAS:887589-43-7
Molecular Formula: C10H5BrClNO2
Molecular Weight: 286.51
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)
Molecular Structure: (C10H5BrClNO2) 2-Quinolinecarboxylic acid, 6-bromo-4-chloro-;
Properties
Flash Point: 409.6 °C at 760 mmHg
Boiling Point: 409.6 °C at 760 mmHg
Density:1.819
Refractive index:1.712
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.

Flash Point: 409.6 °C at 760 mmHg
Safety Data
 

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