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CAS No.: | 135958-93-9 |
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Name: | 6-(4-FLUORO-PHENYL)-PYRIDINE-3-CARBALDEHYDE |
Molecular Structure: | |
Formula: | C12H8FNO |
Molecular Weight: | 201.2 |
Synonyms: | 5-Formyl-2-(4-fluorophenyl)pyridine;6-(4-Fluorophenyl)-3-pyridinecarboxaldehyde;6-(p-Fluorophenyl)-3-pyridinecarboxaldehyde; |
Density: | 1.228g/cm3 |
Boiling Point: | 337.4 °C at 760 mmHg |
Flash Point: | 157.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 29.96000 |
LogP: | 2.70020 |
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The 3-Pyridinecarboxaldehyde,6-(4-fluorophenyl)-, with CAS registry number 135958-93-9, has the systematic name of 6-(4-fluorophenyl)pyridine-3-carbaldehyde. Besides this, it is also called 6-(4-Fluorophenyl)nicotinaldehyde. And the chemical formula of this chemical is C12H8FNO.
Physical properties of 3-Pyridinecarboxaldehyde,6-(4-fluorophenyl)-: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.27; (6)ACD/BCF (pH 7.4): 40.33; (7)ACD/KOC (pH 5.5): 490.07; (8)ACD/KOC (pH 7.4): 490.85; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 55.68 cm3; (15)Molar Volume: 163.8 cm3; (16)Polarizability: 22.07×10-24cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.228 g/cm3; (19)Flash Point: 157.8 °C; (20)Enthalpy of Vaporization: 58.06 kJ/mol; (21)Boiling Point: 337.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000105 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)c2ccc(cn2)C=O
(2)InChI: InChI=1/C12H8FNO/c13-11-4-2-10(3-5-11)12-6-1-9(8-15)7-14-12/h1-8H
(3)InChIKey: WESBCTRYJPEULH-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H8FNO/c13-11-4-2-10(3-5-11)12-6-1-9(8-15)7-14-12/h1-8H
(5)Std. InChIKey: WESBCTRYJPEULH-UHFFFAOYSA-N