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CAS No.: | 57212-34-7 |
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Name: | 1H-Imidazole, 2-fluoro- |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C3H3FN2 |
Molecular Weight: | 86.0677 |
Synonyms: | 2-Fluoroimidazole;2-Fluoro-1H-imidazole; |
Density: | 1.32 g/cm3 |
Boiling Point: | 224.6 °C at 760 mmHg |
Flash Point: | 89.6 °C |
PSA: | 28.68000 |
LogP: | 0.54880 |
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The CAS register number of 1H-Imidazole,2-fluoro- is 57212-34-7. It also can be called as 2-fluoroimidazole and the systematic name about this chemical is 2-fluoro-1H-imidazole. The molecular formula about this chemical is C3H3FN2 and the molecular weight is 86.0677. It belongs to the Fluorinated heterocyclic series.
Physical properties about 1H-Imidazole,2-fluoro- are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.87; (6)ACD/KOC (pH 5.5): 24.96; (7)ACD/KOC (pH 7.4): 54.21; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 17.82Å2; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 18.77 cm3; (13)Molar Volume: 65.1 cm3; (14)Polarizability: 7.44x10-24cm3; (15)Surface Tension: 44.2 dyne/cm; (16)Enthalpy of Vaporization: 46.11 kJ/mol; (17)Boiling Point: 224.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0903 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1nccn1
(2)InChI: InChI=1/C3H3FN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
(3)InChIKey: LNFZAUNJFRYZLE-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C3H3FN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
(5)Std. InChIKey: LNFZAUNJFRYZLE-UHFFFAOYSA-N