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3-Quinolinecarboxylicacid, 7-bromo-4-hydroxy-, ethyl ester (179943-57-8)

Identification
Name:3-Quinolinecarboxylicacid, 7-bromo-4-hydroxy-, ethyl ester
Synonyms:Ethyl7-bromo-4-hydroxyquinoline-3-carboxylate;
CAS:179943-57-8
Molecular Formula: C12H10BrNO3
Molecular Weight: 296.10
InChI: InChI=1/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-5-7(13)3-4-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
Molecular Structure: (C12H10BrNO3) Ethyl7-bromo-4-hydroxyquinoline-3-carboxylate;
Properties
Density:1.594 g/cm3
Refractive index:1.655
Specification:

The Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate is an organic compound with the formula C12H10BrNO3. The IUPAC name of this chemical is ethyl 7-bromo-4-oxo-1H-quinoline-3-carboxylate. With the CAS registry number 179943-57-8, it is also named as 3-quinolinecarboxylic acid, 7-bromo-1,4-dihydro-4-oxo-, ethyl ester.

Physical properties about Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate are: (1)ACD/LogP: 3.36; (2)ACD/LogD (pH 5.5): 1.617; (3)ACD/LogD (pH 7.4): 1.373; (4)ACD/BCF (pH 5.5): 3.808; (5)ACD/BCF (pH 7.4): 2.174; (6)ACD/KOC (pH 5.5): 28.993; (7)ACD/KOC (pH 7.4): 16.555; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 59.42 Å2; (12)Index of Refraction: 1.655; (13)Molar Refractivity: 68.165 cm3; (14)Molar Volume: 185.787 cm3; (15)Polarizability: 27.023×10-24cm3; (16)Surface Tension: 59.224 dyne/cm; (17)Density: 1.594 g/cm3; (18)Flash Point: 186.92 °C; (19)Enthalpy of Vaporization: 65.908 kJ/mol; (20)Boiling Point: 385.461 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cnc2cc(ccc2c1O)Br
(2)InChI: InChI=1/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-5-7(13)3-4-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
(3)InChIKey: WJFBKTAITAHHAR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-5-7(13)3-4-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
(5)Std. InChIKey: WJFBKTAITAHHAR-UHFFFAOYSA-N

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