Benzenepropanoic acid, b-amino-4-bromo-, (bS)- (275826-36-3)

The (S)-3-Amino-3-(4-bromophenyl)propionic acid, with CAS registry number 275826-36-3, belongs to the following product categories: (1)3-Amino-3-phenylpropanoic Acid Analogs; (2)B-Amino. Its systematic name and its IUPAC name are the same, which is (3S)-3-amino-3-(4-bromophenyl)propanoic acid.

Physical properties of (S)-3-Amino-3-(4-bromophenyl)propionic acid: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å²; (7)Index of Refraction: 1.607; (8)Molar Refractivity: 53.22 cm³; (9)Molar Volume: 153.9 cm³; (10)Polarizability: 21.1×10^-24cm³; (11)Surface Tension: 57.2 dyne/cm; (12)Enthalpy of Vaporization: 66.03 kJ/mol; (13)Vapour Pressure: 2.17E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)[C@@H](N)CC(=O)O
(2)InChI: InChI=1/C9H10BrNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
(3)InChIKey: RBOUYDUXPMAYMJ-QMMMGPOBBM
(4)Std. InChI: InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
(5)Std. InChIKey: RBOUYDUXPMAYMJ-QMMMGPOBSA-N