4'-NITRO-3'-(TRIFLUOROMETHYL)ACETANILIDE

The Acetamide,N-[4-nitro-3-(trifluoromethyl)phenyl]-, with CAS registry number 393-12-4, has the systematic name of N-[4-nitro-3-(trifluoromethyl)phenyl]acetamide. Besides this, it is also called 4'-Nitro-3'-(trifluoromethyl)acetanilide. And the chemical formula of this chemical is C₉H₇F₃N₂O₃.

Physical properties of Acetamide,N-[4-nitro-3-(trifluoromethyl)phenyl]-: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 84.43; (6)ACD/BCF (pH 7.4): 84.43; (7)ACD/KOC (pH 5.5): 832.93; (8)ACD/KOC (pH 7.4): 832.93; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 52.05 cm³; (15)Molar Volume: 167.8 cm³; (16)Polarizability: 20.63×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.478 g/cm³; (19)Flash Point: 189.5 °C; (20)Enthalpy of Vaporization: 63.92 kJ/mol; (21)Boiling Point: 389.8 °C at 760 mmHg; (22)Vapour Pressure: 2.78E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Acetamide,N-[4-nitro-3-(trifluoromethyl)phenyl]- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C
(2)InChI: InChI=1/C9H7F3N2O3/c1-5(15)13-6-2-3-8(14(16)17)7(4-6)9(10,11)12/h2-4H,1H3,(H,13,15)
(3)InChIKey: MIHJCLQINRFOLX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H7F3N2O3/c1-5(15)13-6-2-3-8(14(16)17)7(4-6)9(10,11)12/h2-4H,1H3,(H,13,15)
(5)Std. InChIKey: MIHJCLQINRFOLX-UHFFFAOYSA-N