CAS No.13337-66-1,7-chloroquinoline-4-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13337-66-1
Name:	7-chloroquinoline-4-carboxylic acid
Article Data:	9

Formula:	C₁₀H₆ClNO₂
Molecular Weight:	207.616
Synonyms:	7-Chloro-4-quinolinecarboxylicacid;7-Chlorocinchoninic acid;
Density:	1.469 g/cm³
Melting Point:	281-282 °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 systematic name of 7-Chloroquinoline-4-carboxylic acid is 7-chloroquinoline-4-carboxylic acid. With the CAS registry number 13337-66-1, it is also named as 4-Quinolinecarboxylicacid, 7-chloro-. The product's category is Chiral Chemicals. In addition, its molecular formula is C₁₀H₆ClNO₂ and molecular weight is 207.61.

The other characteristics of 7-Chloroquinoline-4-carboxylic acid can be summarized as: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -0.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (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: 39.19 Å²; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 54.01 cm³; (15)Molar Volume: 141.2 cm³; (16)Polarizability: 21.41×10^-24cm³; (17)Surface Tension: 66.4 dyne/cm; (18)Density: 1.469 g/cm³; (19)Flash Point: 184.9 °C; (20)Enthalpy of Vaporization: 66.51 kJ/mol; (21)Boiling Point: 382.1 °C at 760 mmHg; (22)Vapour Pressure: 1.6E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc2nccc(c2cc1)C(=O)O
(2)InChI: InChI=1/C10H6ClNO2/c11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6/h1-5H,(H,13,14)
(3)InChIKey: TXYVRYRRTQYTHJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H6ClNO2/c11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6/h1-5H,(H,13,14)
(5)Std. InChIKey: TXYVRYRRTQYTHJ-UHFFFAOYSA-N