Piperazine,1-(2-fluoro-4-nitrophenyl)- (154590-33-7)

This chemical is called 1-(2-Fluoro-4-nitrophenyl)piperazine, and it can also be named as Buttpark 153\33-48. With the CAS number of 154590-33-7, its molecular formula is C₁₀H₁₂FN₃O₂ . In addition, the molecular weight of this chemical is 225.22.

Other characteristics of the 1-(2-Fluoro-4-nitrophenyl)piperazine can be summarised as followings: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.89; (7)ACD/KOC (pH 5.5): 1.28; (8)ACD/KOC (pH 7.4): 63.67; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.3 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 56.34 cm³; (15)Molar Volume: 173.7 cm³; (16)Polarizability: 22.33×10^-24cm³; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.295 g/cm³; (19)Flash Point: 191.3 °C; (20)Enthalpy of Vaporization: 64.25 kJ/mol; (21)Boiling Point: 392.7 °C at 760 mmHg; (22)Vapour Pressure: 2.24E-06 mmHg at 25°C; (23)Melting Point: 70-72°C.

When you are using this chemical, please be cautious about it as the following: The 1-(2-Fluoro-4-nitrophenyl)piperazine is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure: 
(1)SMILES: [O-][N+](=O)c1cc(F)c(cc1)N2CCNCC2
(2)InChI: InChI=1/C10H12FN3O2/c11-9-7-8(14(15)16)1-2-10(9)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2
(3)InChIKey: ZILOTWJFFLIFMZ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H12FN3O2/c11-9-7-8(14(15)16)1-2-10(9)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2
(5)Std. InChIKey: ZILOTWJFFLIFMZ-UHFFFAOYSA-N