1-Bromo-4-(difluoromethyl)benzene (51776-71-7)

The 1-Bromo-4-(difluoromethyl)benzene with the CAS number 51776-71-7 is also called Benzene, 1-bromo-4-(difluoromethyl)-. Its molecular formula is C₇H₅BrF₂. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 211.85; (6)ACD/BCF (pH 7.4): 211.85; (7)ACD/KOC (pH 5.5): 1609.08; (8)ACD/KOC (pH 7.4): 1609.08; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 39.18 cm³; (15)Molar Volume: 133.5 cm³; (16)Polarizability: 15.53×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Enthalpy of Vaporization: 42.65 kJ/mol; (19)Vapour Pressure: 0.31 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)c1ccc(Br)cc1
(2)InChI: InChI=1/C7H5BrF2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H
(3)InChIKey: HUSPSWKWFREKSS-UHFFFAOYAR