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CAS No.: | 193944-65-9 |
---|---|
Name: | 4'-FLUORO-2,2':6',2''-TERPYRIDINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C15H10FN3 |
Molecular Weight: | 251.263 |
Synonyms: | 4'-Fluoro-2,2':6',2''-terpyridine; |
Density: | 1.232 g/cm3 |
Boiling Point: | 401.174 °C at 760 mmHg |
Flash Point: | 196.424 °C |
PSA: | 38.67000 |
LogP: | 3.34470 |
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The 2,2':6',2''-Terpyridine,4'-fluoro-, with the CAS registry number 193944-65-9, is also known as 4'-Fluor-2,2':6',2''-terpyridin. This chemical's molecular formula is C15H10FN3 and molecular weight is 251.26. Its IUPAC name is called 4'-fluoro-2,2':6',2''-terpyridine.
Physical properties of 2,2':6',2''-Terpyridine,4'-fluoro-: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 52; (5)ACD/BCF (pH 7.4): 54; (6)ACD/KOC (pH 5.5): 579; (7)ACD/KOC (pH 7.4): 605; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.6; (11)Molar Refractivity: 69.704 cm3; (12)Molar Volume: 203.884 cm3; (13)Surface Tension: 50.519 dyne/cm; (14)Density: 1.232 g/cm3; (15)Flash Point: 196.424 °C; (16)Enthalpy of Vaporization: 62.674 kJ/mol; (17)Boiling Point: 401.174 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)c2cc(cc(n2)c3ccccn3)F
(2)InChI: InChI=1/C15H10FN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
(3)InChIKey: HOZRNZZLWVHQSI-UHFFFAOYAU