Carbamic acid,N-[(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester (165727-45-7)

The (1S,2S)-(1-Benzyl-3-chloro-2-hydroxypropyl)carbamic acid tert-butyl ester is a kind of organic compounds with cas registry number of 165727-45-7. It has a systematic name which is called tert-butyl [(1S,2S)-1-benzyl-3-chloro-2-hydroxypropyl]carbamate.

The physical properties about this chemical are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 218.91; (6)ACD/BCF (pH 7.4): 218.9; (7)ACD/KOC (pH 5.5): 1647.29; (8)ACD/KOC (pH 7.4): 1647.22; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 79.86 cm³; (14)Molar Volume: 259.7 cm³; (15)Surface Tension: 41.6 dyne/cm; (16)Density: 1.153 g/cm³; (17)Flash Point: 232.3 °C; (18)Enthalpy of Vaporization: 75.98 kJ/mol; (19)Boiling Point: 460.5 °C at 760 mmHg; (20)Vapour Pressure: 2.83E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1;
(2)InChI: InChI=1/C15H22ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3,(H,17,19)/t12-,13+/m0/s1;
(3)InChIKey: GFGQSTIUFXHAJS-QWHCGFSZBV