The 3-(4-Bromophenyl)propan-1-ol with the CAS number 25574-11-2 is also called Benzenepropanol,4-bromo-. Its molecular formula is C9H11BrO. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 3-(4-Bromophenyl)propan-1-ol are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 61; (6)ACD/BCF (pH 7.4): 61; (7)ACD/KOC (pH 5.5): 659; (8)ACD/KOC (pH 7.4): 659; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 49.66 cm3; (15)Molar Volume: 152.448 cm3; (16)Polarizability: 19.687×10-24cm3; (17)Surface Tension: 43.22 dyne/cm; (18)Enthalpy of Vaporization: 57.019 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)CCCO
(2)InChI: InChI=1/C9H11BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
(3)InChIKey: WODKXGCVVOOEIJ-UHFFFAOYAY
|