Benzenemethanol,2-bromo-5-(trifluoromethyl)- (869725-53-1)

The 2-Bromo-5-(trifluoromethyl)benzyl alcohol is an organic compound with the formula C₈H₆BrF₃O. The IUPAC name of this chemical is [2-bromo-5-(trifluoromethyl)phenyl]methanol. With the CAS registry number 869725-53-1, it is also named as Benzenemethanol, 2-bromo-5-(trifluoromethyl)-. It is used as pharmaceutical intermediate.

The other characteristics of 2-Bromo-5-(trifluoromethyl)benzyl alcohol can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.39; (6)ACD/BCF (pH 7.4): 24.39; (7)ACD/KOC (pH 5.5): 342.48; (8)ACD/KOC (pH 7.4): 342.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 45.37 cm³; (14)Molar Volume: 152.9 cm³; (15)Polarizability: 17.98×10^-24 cm³; (16)Surface Tension: 33.7 dyne/cm; (17)Enthalpy of Vaporization: 52.86 kJ/mol; (18)Vapour Pressure: 0.00545 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 253.955412; (21)MonoIsotopic Mass: 253.955412; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 13; (24)Complexity: 171.

People can use the following data to convert to the molecule structure. 
1. SMILES:Brc1ccc(cc1CO)C(F)(F)F
2. InChI:InChI=1/C8H6BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2
3. InChIKey:RXASTJJSPATSHH-UHFFFAOYAG
4. Std. InChI:InChI=1S/C8H6BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2 
5. Std. InChIKey:RXASTJJSPATSHH-UHFFFAOYSA-N