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D-Phenylalanine,3,5-difluoro-

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Name

D-Phenylalanine,3,5-difluoro-

EINECS N/A
CAS No. 266360-63-8 Density 1.379 g/cm3
PSA 63.32000 LogP 1.61950
Solubility N/A Melting Point N/A
Formula C9H9F2NO2 Boiling Point 295.1 °C at 760 mmHg
Molecular Weight 201.173 Flash Point 132.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 266360-63-8 (3,5-Difluoro-D-phenylalanine) Hazard Symbols N/A
Synonyms

3,5-difluoro-D-phenylalanine;(R)-2-Amino-3-(3,5-difluoro-phenyl)-propionic acid;3-(3,5-difluorophenyl)-D-alanine;3,5-Difluoro-D-Phenylalanine;D-3,5-Difluorophe;H-D-Phe(3,5-DiF)-OH;

Article Data 6

D-Phenylalanine,3,5-difluoro- Specification

The D-Phenylalanine,3,5-difluoro-, with the CAS registry number 266360-63-8, has the systamtic name of 3,5-difluoro-D-phenylalanine. It belongs to the product category of Amino Acids. And the molecular formula of the chemical is C9H9F2NO2. What's more, it should be stored at 0-5°C. 

The characteristics of D-Phenylalanine,3,5-difluoro- are as followings: (1)ACD/LogP: 1.26; (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: 1.536; (8)Molar Refractivity: 45.48 cm3; (9)Molar Volume: 145.8 cm3; (10)Polarizability: 18.03×10-24cm3; (11)Surface Tension: 49.1 dyne/cm; (12)Density: 1.379 g/cm3; (13)Flash Point: 132.3 °C; (14)Enthalpy of Vaporization: 56.48 kJ/mol; (15)Boiling Point: 295.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000704 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)C[C@H](C(=O)O)N
(2)InChI: InChI=1/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m1/s1
(3)InChIKey: QFGMPXZFCIHYIR-MRVPVSSYBZ

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