Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate |
EINECS | -0 |
CAS No. | 179943-57-8 | Density | 1.594 g/cm3 |
PSA | 59.42000 | LogP | 2.87960 |
Solubility | N/A | Melting Point |
307-309 °C |
Formula | C12H10BrNO3 | Boiling Point | 385.461 °C at 760 mmHg |
Molecular Weight | 296.12 | Flash Point | 186.92 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl7-bromo-4-hydroxyquinoline-3-carboxylate; |
Article Data | 27 |
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