L-Phenylalanine,2-chloro- (103616-89-3)

The L-Phenylalanine,2-chloro-, with the CAS registry number 103616-89-3, is also known as 2-Chloro-L-phenylalanine. It belongs to the product categories of Amino Acids; Phenylalanine [Phe, F]; Unusual Amino Acids; Amino Hydrochloride; Peptide; A - HPeptide Synthesis; Amino Acid Derivatives; Amino Acids; Modified Amino Acids; Phenylalanine and A-amino. This chemical's molecular formula is C₉H₁₀ClNO₂ and molecular weight is 199.64. What's more, its IUPAC name is (2S)-2-Amino-3-(2-chlorophenyl)propanoic acid and systematic name is called 2-Chloro-L-phenylalanine. 

Physical properties about L-Phenylalanine,2-chloro- are: (1) ACD/LogP: 1.71; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.79; (4) ACD/LogD (pH 7.4): -0.81; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 29.54 Å²; (13) Index of Refraction: 1.589; (14) Molar Refractivity: 50.38 cm³; (15) Molar Volume: 149.3 cm³; (16) Surface Tension: 55.4 dyne/cm; (17) Density: 1.336 g/cm³; (18) Flash Point: 159.1 °C; (19) Enthalpy of Vaporization: 61.53 kJ/mol; (20) Boiling Point: 339.5 °C at 760 mmHg; (21) Vapour Pressure: 3.54E-05 mmHg at 25 °C; (22) Melting Point: 233-235 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1C[C@@H](C(=O)O)N
(2) InChI: InChI=1/C9H10ClNO2/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: CVZZNRXMDCOHBG-QMMMGPOBBT