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| CAS No.: | 62482-32-0 |
|---|---|
| Name: | 5-chloroquinoline-4-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C10H6ClNO2 |
| Molecular Weight: | 207.616 |
| Synonyms: | 5-Chloro-4-quinolinecarboxylicacid;5-Chloroquinoline-4-carboxylic acid; |
| Density: | 1.469 g/cm3 |
| Melting Point: | 254-255 °C |
| Boiling Point: | 382.1 °C at 760 mmHg |
| Flash Point: | 184.9 °C |
| PSA: | 50.19000 |
| LogP: | 2.58640 |
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Specification
The 4-Quinolinecarboxylicacid, 5-chloro-, with the CAS registry number 62482-32-0, is also known as 5-Chloro-4-quinolinecarboxylicacid. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C10H6ClNO2 and molecular weight is 207.61. What's more, its systematic name is 5-chloroquinoline-4-carboxylic acid.
Physical properties of 4-Quinolinecarboxylicacid, 5-chloro- are: (1)ACD/LogP: 2.79; (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): 1.18; (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: 50.19 Å2; (11)Index of Refraction: 1.69; (12)Molar Refractivity: 54.01 cm3; (13)Molar Volume: 141.2 cm3; (14)Polarizability: 21.41×10-24cm3; (15)Surface Tension: 66.4 dyne/cm; (16)Density: 1.469 g/cm3; (17)Flash Point: 184.9 °C; (18)Enthalpy of Vaporization: 66.51 kJ/mol; (19)Boiling Point: 382.1 °C at 760 mmHg; (20)Vapour Pressure: 1.6E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=NC=CC(=C2C(=C1)Cl)C(=O)O
(2)InChI: InChI=1S/C10H6ClNO2/c11-7-2-1-3-8-9(7)6(10(13)14)4-5-12-8/h1-5H,(H,13,14)
(3)InChIKey: QEJVAJGAMCJITG-UHFFFAOYSA-N