5,7-DICHLOROKYNURENIC ACID SODIUM SALT

The 2-Quinolinecarboxylicacid, 5,7-dichloro-4-hydroxy-, with CAS registry number 131123-76-7, belongs to the following product categories: (1)Glutamate receptor; (2)Glutamate. It has the systematic name of 5,7-dichloro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid. This chemical is a kind of light yellow solid. And the chemical formula of this chemical is C₁₀H₅Cl₂NO₃.

Physical properties of 2-Quinolinecarboxylicacid, 5,7-dichloro-4-hydroxy-: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 3.01; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14; (8)ACD/KOC (pH 7.4): 1.15; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 57.4 cm³; (15)Molar Volume: 156.2 cm³; (16)Polarizability: 22.75×10^-24cm³; (17)Surface Tension: 66.6 dyne/cm; (18)Density: 1.651 g/cm³; (19)Flash Point: 212.8 °C; (20)Enthalpy of Vaporization: 72.04 kJ/mol; (21)Boiling Point: 428.3 °C at 760 mmHg; (22)Vapour Pressure: 4.26E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Quinolinecarboxylicacid, 5,7-dichloro-4-hydroxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(c(Cl)c1)C(=O)\C=C(\C(=O)O)N2
(2)InChI: InChI=1/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
(3)InChIKey: BGKFPRIGXAVYNX-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
(5)Std. InChIKey: BGKFPRIGXAVYNX-UHFFFAOYSA-N