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780753-89-1

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Basic Information
CAS No.: 780753-89-1
Name: 1-(4-FLUORO-PHENYL)-PIPERAZIN-2-ONE
Article Data: 2
Molecular Structure:
Molecular Structure of 780753-89-1 (1-(4-FLUORO-PHENYL)-PIPERAZIN-2-ONE)
Formula: C10H11FN2O
Molecular Weight: 194.209
Synonyms: LogP
Density: 1.225 g/cm3
Boiling Point: 414 °C at 760 mmHg
Flash Point: 204.2 °C
PSA: 32.34000
LogP: 1.15570
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Specification

The CAS register number of 1-(4-Fluorophenyl)-2-piperazinone is 780753-89-1. The systematic name about this chemical is 1-(4-fluorophenyl)piperazin-2-one. The molecular formula about this chemical is C10H11FN2O and molecular weight is 194.21.

Physical properties about 1-(4-Fluorophenyl)-2-piperazinone are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 7.4): 0.68; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.9; (5)ACD/KOC (pH 5.5): 8.99; (6)ACD/KOC (pH 7.4): 54.02; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 32.34Å2; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 49.92 cm3; (13)Molar Volume: 158.4 cm3; (14)Polarizability: 19.79x10-24cm3; (15)Surface Tension: 41.2 dyne/cm; (16)Enthalpy of Vaporization: 66.69 kJ/mol; (17)Boiling Point: 414 °C at 760 mmHg; (18)Vapour Pressure: 4.59E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)N2CCNCC2=O
(2)InChI: InChI=1/C10H11FN2O/c11-8-1-3-9(4-2-8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2
(3)InChIKey: CRJMGHCZJHTTKV-UHFFFAOYAG