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58897-67-9

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Basic Information
CAS No.: 58897-67-9
Name: 6-(4-FLUOROPHENYL)-3(2H)-PYRIDAZINONE
Article Data: 7
Molecular Structure:
Molecular Structure of 58897-67-9 (6-(4-FLUOROPHENYL)-3(2H)-PYRIDAZINONE)
Formula: C10H7FN2O
Molecular Weight: 190.177
Synonyms: 6-(4-Fluorophenyl)-3(2H)-pyridazinone;6-(4-Fluorophenyl)pyridazin-3-ol;3-Pyridazinol, 6-(4-fluorophenyl)-;6-(4-Fluorophenyl)-2,3-dihydropyridazin-3-one;6-(4-Fluoro-phenyl)-2H-pyridazin-3-one;6-(4-Fluorophenyl)-2-hydropyridazin-3-one;
Density: 1.3 g/cm3
Melting Point: 265-268 °C
PSA: 45.75000
LogP: 1.57600
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  • 6-(4-FLUOROPHENYL)-3(2H)-PYRIDAZINONE

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Specification

The 3(2H)-Pyridazinone,6-(4-fluorophenyl)- with CAS registry number of 58897-67-9 is also known as 6-(4-Fluorophenyl)pyridazin-3-ol. The systematic name is 6-(4-Fluorophenyl)pyridazin-3(2H)-one. In addition, the formula is C10H7FN2O and the molecular weight is 190.17.

Physical properties about this chemical are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.6; (6)ACD/BCF (pH 7.4): 3.59; (7)ACD/KOC (pH 5.5): 86.99; (8)ACD/KOC (pH 7.4): 86.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 50.36 cm3; (15)Molar Volume: 146.1 cm3; (16)Polarizability: 19.96×10-24cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.3 g/cm3.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1/C=C\C(=N/N1)\c2ccc(F)cc2
2. InChI: InChI=1/C10H7FN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)
3. InChIKey: SWHTYHMWPIYECQ-UHFFFAOYAH
4. Std. InChI: InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)
5. Std. InChIKey: SWHTYHMWPIYECQ-UHFFFAOYSA-N