2,6-DI(TERT-BUTYL)-4-NITROSOPHENOL

The Phenol,2,6-bis(1,1-dimethylethyl)-4-nitroso- is an organic compound with the formula C₁₄H₂₁NO₂. The IUPAC name of this chemical is 2,6-ditert-butyl-4-nitrosophenol. With the CAS registry number 955-03-3, it is also named as Phenol, 2,6-di-tert-butyl-4-nitroso-. The classification code is Mutation data.

The other characteristics of Phenol,2,6-bis(1,1-dimethylethyl)-4-nitroso- can be summarized as: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 713.25; (6)ACD/BCF (pH 7.4): 15.19; (7)ACD/KOC (pH 5.5): 2856.11; (8)ACD/KOC (pH 7.4): 60.84; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.502; (13)Molar Refractivity: 69.22 cm³; (14)Molar Volume: 234.2 cm³; (15)Polarizability: 27.44×10^-24 cm³; (16)Surface Tension: 31.6 dyne/cm; (17)Enthalpy of Vaporization: 58.02 kJ/mol; (18)Vapour Pressure: 0.000219 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 4; (21)Exact Mass: 235.157229; (22)MonoIsotopic Mass: 235.157229; (23)Topological Polar Surface Area: 49.7; (24)Heavy Atom Count: 17; (25)Complexity: 251.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=Nc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
2. InChI:InChI=1/C14H21NO2/c1-13(2,3)10-7-9(15-17)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
3. InChIKey:JLOKPJOOVQELMO-UHFFFAOYAH
4. Std. InChI:InChI=1S/C14H21NO2/c1-13(2,3)10-7-9(15-17)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
5. Std. InChIKey:JLOKPJOOVQELMO-UHFFFAOYSA-N