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6-Chloroquinoline-3-carboxylic acid

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Name

6-Chloroquinoline-3-carboxylic acid

EINECS N/A
CAS No. 118791-14-3 Density 1.47 g/cm3
PSA 50.19000 LogP 2.58640
Solubility N/A Melting Point 228 °C(Solv: ethanol (64-17-5))
Formula C10H6ClNO2 Boiling Point 382.122 °C at 760 mmHg
Molecular Weight 207.6131 Flash Point 184.901 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 118791-14-3 (6-Chloroquinoline-3-carboxylic acid) Hazard Symbols Xn
Synonyms

3-Quinolinecarboxylic acid, 6-chloro-;

Article Data 2

6-Chloroquinoline-3-carboxylic acid 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

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