2-(4-Bromo-phenyl)-6-methoxy-quinoline-4-carboxylic acid supplier

Name
2-(4-Bromo-phenyl)-6-methoxy-quinoline-4-carboxylic acid
EINECS
CAS No. 35181-24-9
Article Data2
CAS DataBase
Density 1.525 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₂BrNO₃
Boiling Point 527.3 °C at 760 mmHg
Molecular Weight 358.191
Flash Point 272.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Bromophenyl)-6-methoxyquinoline-4-carboxylic acid;ZINC03269686;
PSA 59.42000
LogP 4.37110

2-(4-Bromo-phenyl)-6-methoxy-quinoline-4-carboxylic acid Specification

The 2-(4-Bromo-phenyl)-6-methoxy-quinoline-4-carboxylic acid, with the CAS registry number of 35181-24-9, is also known as ZINC03269686. This chemical's molecular formula is C₁₇H₁₂BrNO₃ and molecular weight is 358.19. What's more, its systematic name is called 2-(4-Bromophenyl)-6-methoxyquinoline-4-carboxylic acid.

Physical properties about 2-(4-Bromo-phenyl)-6-methoxy-quinoline-4-carboxylic acid are: (1)ACD/LogP: 4.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 7.33; (6)ACD/BCF (pH 7.4): 2.63; (7)ACD/KOC (pH 5.5): 24.85; (8)ACD/KOC (pH 7.4): 8.9; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 88.07 cm³; (15)Molar Volume: 234.7 cm³; (16)Polarizability: 34.91×10^-24 cm³; (17)Surface Tension: 58 dyne/cm; (18)Density: 1.525 g/cm³; (19)Flash Point: 272.7 °C; (20)Enthalpy of Vaporization: 84.4 kJ/mol; (21)Boiling Point: 527.3 °C at 760 mmHg; (22)Vapour Pressure: 6.04E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc3ccc(c1nc2ccc(OC)cc2c(c1)C(=O)O)cc3
(2) InChI: InChI=1/C17H12BrNO3/c1-22-12-6-7-15-13(8-12)14(17(20)21)9-16(19-15)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,20,21)
(3) InChIKey: RPQNQYFMZUVGTK-UHFFFAOYAQ

Product Name

2-(4-Bromo-phenyl)-6-methoxy-quinoline-4-carboxylic acid

2-(4-Bromo-phenyl)-6-methoxy-quinoline-4-carboxylic acid Specification

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