Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(3-Chlorophenyl)-4-quinolinecarboxylic acid |
EINECS | N/A |
CAS No. | 20389-10-0 | Density | 1.374 g/cm3 |
PSA | 50.19000 | LogP | 4.25340 |
Solubility | N/A | Melting Point |
214 °C |
Formula | C16H10ClNO2 | Boiling Point | 483.334 °C at 760 mmHg |
Molecular Weight | 283.714 | Flash Point | 246.112 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Cinchoninicacid, 2-(m-chlorophenyl)- (7CI,8CI);NSC 123857; |
Article Data | 6 |
The CAS register number of 4-Quinolinecarboxylicacid, 2-(3-chlorophenyl)- is 20389-10-0. It also can be called as 2-(3-Chlorophenyl)-4-quinolinecarboxylic acid and the IUPAC name about this chemical is 2-(3-chlorophenyl)quinoline-4-carboxylic acid. The molecular formula about this chemical is C16H10ClNO2 and the molecular weight is 283.71. It belongs to the Quinoline & Isoquinoline.
Physical properties about 4-Quinolinecarboxylicacid, 2-(3-chlorophenyl)- are: (1)ACD/LogP: 4.33; (2)ACD/LogD (pH 5.5): 1.84; (3)ACD/LogD (pH 7.4): 1.42; (4)ACD/BCF (pH 5.5): 3.29; (5)ACD/BCF (pH 7.4): 1.24; (6)ACD/KOC (pH 5.5): 13.81; (7)ACD/KOC (pH 7.4): 5.2; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.19Å2; (12)Index of Refraction: 1.686; (13)Molar Refractivity: 78.6 cm3; (14)Molar Volume: 206.5 cm3; (15)Polarizability: 31.16x10-24cm3; (16)Surface Tension: 60.7 dyne/cm; (17)Flash Point: 246.1 °C; (18)Enthalpy of Vaporization: 78.83 kJ/mol; (19)Boiling Point: 483.3 °C at 760 mmHg; (20)Vapour Pressure: 3.74E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3cccc(c1nc2ccccc2c(c1)C(=O)O)c3
(2)InChI: InChI=1/C16H10ClNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)
(3)InChIKey: QPDXYIKQOBZSGQ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C16H10ClNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)
(5)Std. InChIKey: QPDXYIKQOBZSGQ-UHFFFAOYSA-N