7-Bromo-D-tryptophan (496929-99-8)

The CAS register number of 7-Bromo-D-tryptophan is 496929-99-8. The systematic name about this chemical is 5-bromotryptophan. The molecular formula about this chemical is C₁₁H₁₁BrN₂O₂ and the molecular weight is 283.12.

Physical properties about 7-Bromo-D-tryptophan are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): -0.6; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 34.47Ų; (12)Index of Refraction: 1.718; (13)Molar Refractivity: 65.45 cm³; (14)Molar Volume: 166 cm³; (15)Polarizability: 25.95x10^-24cm³; (16)Surface Tension: 73.2 dyne/cm; (17)Enthalpy of Vaporization: 80.41 kJ/mol; (18)Boiling Point: 495.8 °C at 760 mmHg; (19)Vapour Pressure: 1.19E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)Cc2c1cc(Br)ccc1nc2
(2)InChI: InChI=1/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)
(3)InChIKey: KZDNJQUJBMDHJW-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)
(5)Std. InChIKey: KZDNJQUJBMDHJW-UHFFFAOYSA-N