Benzenemethanol, a-(bromomethyl)-3-nitro-4-(phenylmethoxy)-,(aR)- (188690-82-6)

The CAS register number of (R)-1-(4-Benzyloxy-3-nitrophenyl)-2-bromoethanol is 188690-82-6. It also can be called as (R)-2-Bromo-1-(3-nitro-4-benzyloxyphenyl)ethanol and the systematic name about this chemical is (1R)-1-[4-(benzyloxy)-3-nitrophenyl]-2-bromoethanol. The molecular formula about this chemical is C₁₅H₁₄BrNO₄ and molecular weight is 352.18. It belongs to the API intermediates.

Physical properties about (R)-1-(4-Benzyloxy-3-nitrophenyl)-2-bromoethanol are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 2.98; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 109.04; (5)ACD/BCF (pH 7.4): 109.03; (6)ACD/KOC (pH 5.5): 1000.24; (7)ACD/KOC (pH 7.4): 1000.22; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 64.28Ų; (12)Index of Refraction: 1.638; (13)Molar Refractivity: 82.78 cm³; (14)Molar Volume: 230.2 cm³; (15)Polarizability: 32.81x10^-24cm³; (16)Surface Tension: 58.1 dyne/cm; (17)Enthalpy of Vaporization: 80.16 kJ/mol; (18)Boiling Point: 493.9 °C at 760 mmHg; (19)Vapour Pressure: 1.43E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC[C@H](O)c2ccc(OCc1ccccc1)c(c2)[N+]([O-])=O
(2)InChI: InChI=1/C15H14BrNO4/c16-9-14(18)12-6-7-15(13(8-12)17(19)20)21-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10H2/t14-/m0/s1
(3)InChIKey: HQGAJOFIQLBIIM-AWEZNQCLBW
(4)Std. InChI: InChI=1S/C15H14BrNO4/c16-9-14(18)12-6-7-15(13(8-12)17(19)20)21-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10H2/t14-/m0/s1
(5)Std. InChIKey: HQGAJOFIQLBIIM-AWEZNQCLSA-N