CAS No.223388-21-4,1-Chloro-4-hydroxyisoquinoline-3-carboxylicacid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	223388-21-4
Name:	1-Chloro-4-hydroxyisoquinoline-3-carboxylicacid
Article Data:	8

Formula:	C₁₀H₆ClNO₃
Molecular Weight:	223.61
Synonyms:	3-Isoquinolinecarboxylic acid, 1-chloro-4-hydroxy-;
Density:	1.6 g/cm³
Boiling Point:	511 °C at 760 mmHg
Flash Point:	262.8 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	70.42000
LogP:	2.29200

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Specification

The 1-Chloro-4-hydroxyisoquinoline-3-carboxylic acid, with the CAS registry number 223388-21-4, is also known as 3-Isoquinolinecarboxylic acid, 1-chloro-4-hydroxy-. This chemical's molecular formula is C₁₀H₆ClNO₃ and molecular weight is 223.6125. What's more, its systematic name is called 1-Chloro-4-hydroxyisoquinoline-3-carboxylic acid.

Physical properties about 1-Chloro-4-hydroxyisoquinoline-3-carboxylic acid are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.47; (8)ACD/KOC (pH 7.4): 1.11; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 55.89 cm³; (15)Molar Volume: 139.6 cm³; (16)Surface Tension: 80.3 dyne/cm; (17)Density: 1.6 g/cm³; (18)Flash Point: 262.8 °C; (19)Enthalpy of Vaporization: 82.33 kJ/mol; (20)Boiling Point: 511 °C at 760 mmHg; (21)Vapour Pressure: 2.89E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1nc(Cl)c2ccccc2c1O
(2) InChI: InChI=1/C10H6ClNO3/c11-9-6-4-2-1-3-5(6)8(13)7(12-9)10(14)15/h1-4,13H,(H,14,15)
(3) InChIKey: OBWMAIKNSCFJKC-UHFFFAOYAV