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CAS No.: | 622369-70-4 |
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Name: | 4-CHLORO-7-FLUORO-QUINOLINE-3-CARBONITRILE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H4ClFN2 |
Molecular Weight: | 206.6036 |
Synonyms: | 4-Chloro-7-fluoroquinoline-3-carbonitrile; |
Density: | 1.443 g/cm3 |
Boiling Point: | 351.679 °C at 760 mmHg |
Flash Point: | 166.49 °C |
PSA: | 36.68000 |
LogP: | 2.89898 |
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The 3-Quinolinecarbonitrile,4-chloro-7-fluoro-, with the CAS registry number 622369-70-4, is also known as 4-Chlor-7-fluorchinolin-3-carbonitril. This chemical's molecular formula is C10H4ClFN2 and molecular weight is 206.6036. What's more, its systematic name is called 4-Chloro-7-fluoroquinoline-3-carbonitrile.
Physical properties about 3-Quinolinecarbonitrile,4-chloro-7-fluoro- are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 32; (6)ACD/BCF (pH 7.4): 32; (7)ACD/KOC (pH 5.5): 416; (8)ACD/KOC (pH 7.4): 416; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 51.616 cm3; (15)Molar Volume: 143.137 cm3; (16)Surface Tension: 59.75 dyne/cm; (17)Density: 1.443 g/cm3; (18)Flash Point: 166.49 °C; (19)Enthalpy of Vaporization: 59.641 kJ/mol; (20)Boiling Point: 351.679 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc2ncc(C#N)c(Cl)c2cc1
(2) InChI: InChI=1/C10H4ClFN2/c11-10-6(4-13)5-14-9-3-7(12)1-2-8(9)10/h1-3,5H
(3) InChIKey: GLDPOBFSPURDRC-UHFFFAOYAO