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CAS No.: | 176433-62-8 |
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Name: | 2-Chloro-5-hydroxy-3-pyridinecarboxaldehyde |
Molecular Structure: | |
Formula: | C6H4ClNO2 |
Molecular Weight: | 157.5545 |
Synonyms: | 2-Chloro-5-hydroxynicotinaldehyde; |
Density: | 1.505 g/cm3 |
Boiling Point: | 413.809 °C at 760 mmHg |
Flash Point: | 204.065 °C |
PSA: | 50.19000 |
LogP: | 1.25310 |
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The 2-Chloro-5-hydroxy-3-pyridinecarboxaldehyde, with the CAS registry number 176433-62-8, is also known as 2-Chloro-5-hydroxynicotinaldehyde. This chemical's molecular formula is C6H4ClNO2 and molecular weight is 157.5545. What's more, its IUPAC name is 2-Chloro-5-hydroxypyridine-3-carbaldehyde.
Physical properties about 2-Chloro-5-hydroxy-3-pyridinecarboxaldehyde are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.762; (4)ACD/LogD (pH 7.4): 0.071; (5)ACD/BCF (pH 5.5): 2.206; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 60.436; (8)ACD/KOC (pH 7.4): 12.301; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.19 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 37.874 cm3; (15)Molar Volume: 104.704 cm3; (16)Polarizability: 15.014×10-24 cm3; (17)Surface Tension: 65.056 dyne/cm; (18)Density: 1.505 g/cm3; (19)Flash Point: 204.065 °C; (20)Enthalpy of Vaporization: 69.253 kJ/mol; (21)Boiling Point: 413.809 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cnc(c1C=O)Cl)O
(2) InChI: InChI=1/C6H4ClNO2/c7-6-4(3-9)1-5(10)2-8-6/h1-3,10H
(3) InChIKey: HLISDLSKVNXWOU-UHFFFAOYAI