L-2-Bromophenylalanine

The L-2-Bromophenylalanine, with the CAS registry number 42538-40-9, is also known as (S)-2-Amino-3-(2'-bromophenyl)propanoic acid. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Amino Acid Derivatives; Chiral Reagent; A-Amino. This chemical's molecular formula is C₉H₁₀BrNO₂ and molecular weight is 244.09. What's more, its IUPAC name is called (2S)-2-Amino-3-(2-bromophenyl)propanoic acid.

Physical properties about L-2-Bromophenylalanine are: (1)ACD/LogP: 1.405; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.09; (4)ACD/LogD (pH 7.4): -1.11; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.32 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 53.184 cm³; (15)Molar Volume: 153.622 cm³; (16)Polarizability: 21.084×10^-24cm³; (17)Surface Tension: 57.139 dyne/cm; (18)Density: 1.589 g/cm³; (19)Flash Point: 173.45 °C; (20)Enthalpy of Vaporization: 64.279 kJ/mol; (21)Boiling Point: 363.188 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccccc1C[C@@H](C(=O)O)N
(2) InChI: InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
(3) InChIKey: JFVLNTLXEZDFHW-QMMMGPOBSA-N