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CAS No.: | 849996-80-1 |
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Name: | 2-chloroquinoline-6-carboxylic acid |
Molecular Structure: | |
Formula: | C10H6ClNO2 |
Molecular Weight: | 207.616 |
Synonyms: | 2-Chloroquinoline-6-carboxylic acid; |
Density: | 1.469 g/cm3 |
Boiling Point: | 376.1 °C at 760 mmHg |
Flash Point: | 181.3 °C |
PSA: | 50.19000 |
LogP: | 2.58640 |
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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