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CAS No.: | 884494-74-0 |
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Name: | 2-CHLORO-5-FLUOROISONICOTINIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H3ClFNO2 |
Molecular Weight: | 175.547 |
Synonyms: | 2-Chloro-5-fluoropyridine-4-carboxylic acid;2-Chloro-5-fluoro-4-pyridinecarboxylic acid |
EINECS: | 214-589-6 |
Density: | 1.576 g/cm3 |
Boiling Point: | 383.6 °C at 760 mmHg |
Flash Point: | 185.8 °C |
Hazard Symbols: | Xi |
PSA: | 50.19000 |
LogP: | 1.57230 |
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This chemical is called 4-Pyridinecarboxylic acid, 2-chloro-5-fluoro-, and its systematic name is 2-Chloro-5-fluoro-pyridine-4-carboxylic acid. With the molecular formula of C6H3ClFNO2, its molecular weight is 175.54. The CAS registry number of this chemical is 884494-74-0. Additionally, its product categories are Acids and Derivatives; Heterocycles; Pyridine.
Other characteristics of the 4-Pyridinecarboxylic acid, 2-chloro-5-fluoro- can be summarised as followings: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 50.19 Å2; (7)Index of Refraction: 1.563; (8)Molar Refractivity: 36.16 cm3; (9)Molar Volume: 111.3 cm3; (10)Polarizability: 14.33×10-24cm3; (11)Surface Tension: 57.4 dyne/cm; (12)Density: 1.576 g/cm3; (13)Flash Point: 185.8 °C; (14)Enthalpy of Vaporization: 66.69 kJ/mol; (15)Boiling Point: 383.6 °C at 760 mmHg; (16)Vapour Pressure: 1.43E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(c(cnc1Cl)F)C(=O)O
2.InChI: InChI=1/C6H3ClFNO2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,(H,10,11)
3.InChIKey: MEDPACAROROBNJ-UHFFFAOYAY