Phenol,3-nitro-5-(trifluoromethyl)- (349-57-5)

The 3-Nitro-5-(trifluoromethyl)phenol, with the CAS registry number 349-57-5, is also known as Phenol, 3-nitro-5-(trifluoromethyl)-. It belongs to the product categories of Alcohols and Derivatives; Aromatic Phenols; Phenol&Thiophenol&Mercaptan. This chemical's molecular formula is C₇H₄F₃NO₃ and molecular weight is 207.11. What's more, its systematic name is called 3-Nitro-5-(trifluoromethyl)phenol.

Physical properties about 3-Nitro-5-(trifluoromethyl)phenol are: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 263.01; (6)ACD/BCF (pH 7.4): 123.76; (7)ACD/KOC (pH 5.5): 1870.84; (8)ACD/KOC (pH 7.4): 880.31; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 39.65 cm³; (15)Molar Volume: 133.2 cm³; (16)Surface Tension: 39.9 dyne/cm; (17)Density: 1.554 g/cm³; (18)Flash Point: 110.4 °C; (19)Melting Point: 89-92 °C; (20)Enthalpy of Vaporization: 51.65 kJ/mol; (21)Boiling Point: 258.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0083 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc(O)c1)C(F)(F)F
(2)InChI: InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(11(13)14)3-6(12)2-4/h1-3,12H
(3)InChIKey: JDIAMHNYAPDMRB-UHFFFAOYAF