The CAS registry number of Methanone,(3-chlorophenyl)-1-piperazinyl- is 100939-90-0. The IUPAC name is (3-chlorophenyl)-piperazin-1-ylmethanone. In addition, the molecular formula is C11H13ClN2O and the molecular weight is 224.69. It is a kind of irritating chemical and should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): -1.37; (3)ACD/LogD (pH 7.4): 0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 22.02; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 23.55 Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 59.9 cm3; (14)Molar Volume: 182.5 cm3; (15)Polarizability: 23.74 ×10-24cm3; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.231 g/cm3; (18)Flash Point: 187 °C; (19)Enthalpy of Vaporization: 63.44 kJ/mol; (20)Boiling Point: 385.6 °C at 760 mmHg; (21)Vapour Pressure: 3.77E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccc(Cl)c1)N2CCNCC2
(2)InChI: InChI=1/C11H13ClN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
(3)InChIKey: FBTDRVSCKFZIQH-UHFFFAOYAK
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