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CAS No.: | 100553-83-1 |
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Name: | 2-(4-Chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazole-3-one |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C10H9FN2O |
Molecular Weight: | 192.193 |
Synonyms: | 3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-5-methyl-; |
Density: | 1.26 g/cm3 |
Melting Point: | 148-149 °C |
Boiling Point: | 351.3 °C at 760 mmHg |
Flash Point: | 166.3 °C |
PSA: | 32.67000 |
LogP: | 1.43890 |
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The 1-(4-Fluorophenyl)-3-methyl-2-pyrazolin-5-one with the cas number 100553-83-1 is also called 3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-5-methyl-. The systematic name is 2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one. Its molecular formula is C10H9FN2O.
The properties of the chemical are: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 32.67 Å2; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 51.07 cm3; (9)Molar Volume: 151.3 cm3; (10)Polarizability: 20.24×10-24cm3; (11)Surface Tension: 41 dyne/cm; (12)Enthalpy of Vaporization: 59.6 kJ/mol; (13)Vapour Pressure: 4.15×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(N1/N=C(\CC1=O)C)cc2
(2)InChI: InChI=1/C10H9FN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
(3)InChIKey: VJVFAPBCFDWAEX-UHFFFAOYAK