(3R)-3-Amino-3-(4-bromophenyl)propanol (1213037-93-4)

The (3R)-3-Amino-3-(4-bromophenyl)propanol, with cas registry number 1213037-93-4, has the systematic name of (3R)-3-amino-3-(4-bromophenyl)propan-1-ol. And it is also called Benzenepropanol, gamma-amino-4-bromo-, (gammaR)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 46.25 Å²; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 53.19 cm³; (9)Molar Volume: 156.8 cm³; (10)Polarizability: 21.08×10^-24cm³; (11)Surface Tension: 50.6 dyne/cm; (12)Enthalpy of Vaporization: 62.58 kJ/mol; (13)Vapour Pressure: 1.87E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: N[C@H](CCO)c1ccc(Br)cc1
(2)InChI: InChI=1/C9H12BrNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
(3)InChIKey: XWXQMFXVRNFZOH-SECBINFHBQ
(4)Std. InChI: InChI=1S/C9H12BrNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
(5)Std. InChIKey: XWXQMFXVRNFZOH-SECBINFHSA-N