Carbamic acid,N-[(1R)-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester (578729-21-2)

The cas register number of tert-Butyl [(1R)-1-(4-bromophenyl)ethyl]carbamate is 578729-21-2. It also can be called as carbamic acid, N-[(1R)-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester and the Systematic name about this chemical is tert-Butyl N-[1-(4-bromophenyl)ethyl]carbamate.

Physical properties about tert-Butyl [(1R)-1-(4-bromophenyl)ethyl]carbamate are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 658.43; (6)ACD/BCF (pH 7.4): 658.41; (7)ACD/KOC (pH 5.5): 3623.17; (8)ACD/KOC (pH 7.4): 3623.07; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.33Ų; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 71.99 cm³; (15)Molar Volume: 234 cm³; (16)Surface Tension: 37.6 dyne/cm; (17)Density: 1.282 g/cm³; (18)Flash Point: 185.5 °C; (19)Enthalpy of Vaporization: 63.16 kJ/mol; (20)Boiling Point: 383.1 °C at 760 mmHg; (21)Vapour Pressure: 4.5E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: C[C@H](c1ccc(cc1)Br)NC(=O)OC(C)(C)C
2.InChI: InChI=1/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m1/s1 
3.InChIKey: KECPRZHCNCDSET-SECBINFHBZ
4.Std. InChI: InChI=1S/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m1/s1