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264208-45-9

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Basic Information
CAS No.: 264208-45-9
Name: 5-(4-Fluoro-phenyl)-2,4-dihydro-pyrazol-3-one
Article Data: 1
Molecular Structure:
Molecular Structure of 264208-45-9 (5-(4-Fluoro-phenyl)-2,4-dihydro-pyrazol-3-one)
Formula: C9H7FN2O
Molecular Weight: 178.166
Synonyms: 3H-Pyrazol-3-one, 5-(4-fluorophenyl)-2,4-dihydro-;3-(4-Fluorophenyl)-1,4-dihydropyrazol-5-one;
Density: 1.37 g/cm3
PSA: 41.46000
LogP: 0.81410
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Specification

The 5-(4-Fluoro-phenyl)-2,4-dihydro-pyrazol-3-one is an organic compound with the formula C9H7FN2O. The IUPAC name of this chemical is 3-(4-Fluorophenyl)-1,4-dihydropyrazol-5-one. With the CAS registry number 264208-45-9, it is also named as 3H-Pyrazol-3-one, 5-(4-fluorophenyl)-2,4-dihydro-. Besides, its molecular weight is 178.16.

The physical properties of 5-(4-Fluoro-phenyl)-2,4-dihydro-pyrazol-3-one are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 2.09; (5)ACD/BCF (pH 7.4): 2.09; (6)ACD/KOC (pH 5.5): 59.04; (7)ACD/KOC (pH 7.4): 59.07; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 32.67 Å2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 45.75 cm3; (14)Molar Volume: 129.9 cm3; (15)Polarizability: 18.13×10-24 cm3; (16)Surface Tension: 45.4 dyne/cm; (17)Density: 1.37 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N/N=C(/c1ccc(F)cc1)C2
(2)InChI: InChI=1/C9H7FN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-4H,5H2,(H,12,13)
(3)InChIKey: SEYNJJPUECXGPO-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H7FN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-4H,5H2,(H,12,13)
(5)Std. InChIKey: SEYNJJPUECXGPO-UHFFFAOYSA-N