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122839-51-4

Basic Information
CAS No.: 122839-51-4
Name: 2-FLUORO-D-PHENYLALANINE
Article Data: 1
Molecular Structure:
Molecular Structure of 122839-51-4 (2-FLUORO-D-PHENYLALANINE)
Formula: C9H10FNO2
Molecular Weight: 219.643
Synonyms: H-D-Phe(2-F)-OH.HCl;D-2-FLUOROPHENYLALANINE;(R)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrochloride;H-D-PHE(2-F)-OH;(R)-2-FLUOROPHENYLALANINEHYDROCHLORIDE;2-Fluor-D-phenylalanin,Hydrochlorid;D-2-FLUORO-PHENYLALANINE;(2R)-2-AMINO-3-(2-FLUOROPHENYL)PROPANOIC ACID;2-Fluor-dibenzoxazepin;(R)-2-Fluorophenylalanine Hydrochloride Salt;2-fluoro-D-phenylalanine,hydrochloride;
Density: 1.293 g/cm3
Boiling Point: 308.1 °C at 760 mmHg
Flash Point: 140.1 °C
Safety: 22-24/25
PSA: 63.32000
LogP: 2.28240
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Specification

The D-2-Fluorophenylalanine is an organic compound with the formula C9H10FNO2. The systematic name of this chemical is 2-fluoro-D-phenylalanine. With the CAS registry number 122839-51-4, it is also named as (R)-2-Amino-3-(2'-fluorophenyl)propanoic acid. In addition, this chemical should be stored at the temperature of 0-5°C. When use it, people should not breathe dust and avoid contact with skin and eyes.

The other characteristics of D-2-Fluorophenylalanine can be summarized as: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 45.48 cm3; (13)Molar Volume: 141.6 cm3; (14)Polarizability: 18.03×10-24 cm3; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.293 g/cm3; (17)Flash Point: 140.1 °C; (18)Enthalpy of Vaporization: 57.94 kJ/mol; (19)Boiling Point: 308.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000301 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:Fc1ccccc1C[C@H](C(=O)O)N
2. InChI:InChI=1/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
3. InChIKey:NYCRCTMDYITATC-MRVPVSSYBY
4. Std. InChI:InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 
5. Std. InChIKey:NYCRCTMDYITATC-MRVPVSSYSA-N