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| CAS No.: | 118791-14-3 |
|---|---|
| Name: | 6-Chloroquinoline-3-carboxylic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C10H6ClNO2 |
| Molecular Weight: | 207.6131 |
| Synonyms: | 3-Quinolinecarboxylic acid, 6-chloro-; |
| Density: | 1.47 g/cm3 |
| Melting Point: | 228 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 382.122 °C at 760 mmHg |
| Flash Point: | 184.901 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 50.19000 |
| LogP: | 2.58640 |
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Specification
The CAS registry number of 6-Chloroquinoline-3-carboxylic acid is 118791-14-3. It belongs to the product category of Chiral Chemicals. This chemical is also named as 3-Quinolinecarboxylic acid, 6-chloro-. In addition, its molecular formula is C10H6ClNO2 and molecular weight is 207.6131. Its systematic name is called 6-chloroquinoline-3-carboxylic acid.
Physical properties about 6-Chloroquinoline-3-carboxylic acid are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.69; (12)Molar Refractivity: 54.012 cm3; (13)Molar Volume: 141.253 cm3; (14)Surface Tension: 66.421 dyne/cm; (15)Density: 1.47 g/cm3; (16)Flash Point: 184.901 °C; (17)Enthalpy of Vaporization: 66.506 kJ/mol; (18)Boiling Point: 382.122 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2cc(Cl)ccc2nc1
(2)InChI: InChI=1/C10H6ClNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14)
(3)InChIKey: UYQIRJWFRMCAID-UHFFFAOYAO