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6-Quinolinecarboxylicacid, 2-chloro-

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Name

6-Quinolinecarboxylicacid, 2-chloro-

EINECS N/A
CAS No. 849996-80-1 Density 1.469 g/cm3
PSA 50.19000 LogP 2.58640
Solubility N/A Melting Point N/A
Formula C10H6ClNO2 Boiling Point 376.1 °C at 760 mmHg
Molecular Weight 207.616 Flash Point 181.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 849996-80-1 (2-chloroquinoline-6-carboxylic acid) Hazard Symbols N/A
Synonyms

2-Chloroquinoline-6-carboxylic acid;

 

6-Quinolinecarboxylicacid, 2-chloro- Specification

The 6-Quinolinecarboxylicacid, 2-chloro-, with the CAS registry number 849996-80-1, belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C10H6ClNO2 and molecular weight is 207.6131. What's more, its systematic name is called 2-Chloroquinoline-6-carboxylic acid.

Physical properties about 6-Quinolinecarboxylicacid, 2-chloro- are: (1) ACD/LogP: 2.44; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.66; (4)  Vapour Pressure: 2.52E-06 mmHg at 25 °C; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 8.39; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 50.19 Å2; (13) Index of Refraction: 1.69; (14) Molar Refractivity: 54.01 cm3; (15) Molar Volume: 141.2 cm3; (16) Surface Tension: 66.4 dyne/cm; (17) Density: 1.469 g/cm3; (18) Flash Point: 181.3 °C; (19) Enthalpy of Vaporization: 65.8 kJ/mol; (20) Boiling Point: 376.1 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1ccc2nc(Cl)ccc2c1
(2) InChI: InChI=1/C10H6ClNO2/c11-9-4-2-6-5-7(10(13)14)1-3-8(6)12-9/h1-5H,(H,13,14)
(3) InChIKey: RHQOQVWVODTTSD-UHFFFAOYAN

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