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CAS No.: | 884494-54-6 |
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Name: | 2-CHLORO-5-FLUORO-4-FORMYLPYRIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H3ClFNO |
Molecular Weight: | 159.55 |
Synonyms: | 2-Chloro-5-fluoroisonicotinaldehyde; |
Density: | 1.444 g/cm3 |
Boiling Point: | 227.542 °C at 760 mmHg |
Flash Point: | 91.414 °C |
PSA: | 29.96000 |
LogP: | 1.68660 |
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This chemical is called 4-Pyridinecarboxaldehyde, 2-chloro-5-fluoro-, and its systematic name is 2-Chloro-5-fluoro-pyridine-4-carbaldehyde. With the molecular formula of C6H3ClFNO, its molecular weight is 159.55. The CAS registry number of this chemical is 884494-54-6. Additionally, its product categories are API intermediates; Boronic Acid.
Other characteristics of the 4-Pyridinecarboxaldehyde, 2-chloro-5-fluoro- can be summarised as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.055; (4)ACD/LogD (pH 7.4): 1.055; (5)ACD/BCF (pH 5.5): 3.731; (6)ACD/BCF (pH 7.4): 3.731; (7)ACD/KOC (pH 5.5): 89.319; (8)ACD/KOC (pH 7.4): 89.319; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 35.986 cm3; (15)Molar Volume: 110.484 cm3; (16)Polarizability: 14.266×10-24cm3; (17)Surface Tension: 47.124 dyne/cm; (18)Density: 1.444 g/cm3; (19)Flash Point: 91.414 °C; (20)Enthalpy of Vaporization: 46.411 kJ/mol; (21)Boiling Point: 227.542 °C at 760 mmHg; (22)Vapour Pressure: 0.077 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(c(cnc1Cl)F)C=O
2.InChI: InChI=1/C6H3ClFNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H
3.InChIKey: SUXQRZZPWPDIIN-UHFFFAOYAJ