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7-Chloroquinoline-3-carboxylic acid

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Name

7-Chloroquinoline-3-carboxylic acid

EINECS N/A
CAS No. 892874-49-6 Density 1.47 g/cm3
PSA 50.19000 LogP 2.58640
Solubility N/A Melting Point N/A
Formula C10H6ClNO2 Boiling Point 382.122 °C at 760 mmHg
Molecular Weight 207.616 Flash Point 184.901 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 892874-49-6 (7-CHLOROQUINOLINE-3-CARBOXYLIC ACID) Hazard Symbols Xn
Synonyms

7-Chloroquinoline-3-carboxylic acid;

 

7-Chloroquinoline-3-carboxylic acid Specification

The CAS register number of 7-Chloroquinoline-3-carboxylic acid is 892874-49-6. It also can be called as 3-Quinolinecarboxylicacid, 7-chloro- and the systematic name about this chemical is 7-chloroquinoline-3-carboxylic acid. The molecular formula about this chemical is C10H6ClNO2 and the molecular weight is 207.61. It belongs to the Chiral Chemicals.

Physical properties about 7-Chloroquinoline-3-carboxylic acid are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9; (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: 50.19Å2; (11)Index of Refraction: 1.69; (12)Molar Refractivity: 54.012 cm3; (13)Molar Volume: 141.253 cm3; (14)Polarizability: 21.412x10-24cm3; (15)Surface Tension: 66.421 dyne/cm; (16)Enthalpy of Vaporization: 66.506 kJ/mol; (17)Boiling Point: 382.122 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2ccc(Cl)cc2nc1
(2)InChI: InChI=1/C10H6ClNO2/c11-8-2-1-6-3-7(10(13)14)5-12-9(6)4-8/h1-5H,(H,13,14)
(3)InChIKey: UFGQWTWQNIGAEB-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H6ClNO2/c11-8-2-1-6-3-7(10(13)14)5-12-9(6)4-8/h1-5H,(H,13,14)
(5)Std. InChIKey: UFGQWTWQNIGAEB-UHFFFAOYSA-N

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