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CAS No.: | 6456-78-6 |
---|---|
Name: | 6-chloroquinoline-8-carboxylic acid |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H6ClNO2 |
Molecular Weight: | 207.616 |
Synonyms: | 6-Chloro-8-quinolinecarboxylicacid;6-Chloroquinoline-8-carboxylic acid;6-Chloro-8-quinolinecarboxylic; |
Density: | 1.469 g/cm3 |
Melting Point: | 220-222°C |
Boiling Point: | 410.3 °C at 760 mmHg |
Flash Point: | 202 °C |
PSA: | 50.19000 |
LogP: | 2.58640 |
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The 8-Quinolinecarboxylicacid, 6-chloro-, with the CAS registry number 6456-78-6, is also known as 6-Chloro-8-quinolinecarboxylic acid. This chemical's molecular formula is C10H6ClNO2 and molecular weight is 207.61. What's more, its systematic name is 6-Chloroquinoline-8-carboxylic acid.
Physical properties of 8-Quinolinecarboxylicacid, 6-chloro- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.21; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 39.19 Å2; (11)Index of Refraction: 1.69; (12)Molar Refractivity: 54.01 cm3; (13)Molar Volume: 141.2 cm3; (14)Polarizability: 21.41×10-24 cm3; (15)Surface Tension: 66.4 dyne/cm; (16)Density: 1.469 g/cm3; (17)Flash Point: 202 °C; (18)Enthalpy of Vaporization: 69.87 kJ/mol; (19)Boiling Point: 410.3 °C at 760 mmHg; (20)Vapour Pressure: 1.81E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(Cl)cc2cccnc12
(2)InChI: InChI=1S/C10H6ClNO2/c11-7-4-6-2-1-3-12-9(6)8(5-7)10(13)14/h1-5H,(H,13,14)
(3)InChIKey: GGHKFVNCVUIGRP-UHFFFAOYSA-N