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CAS No.: | 110117-84-5 |
---|---|
Name: | 3-FLUORO-D-PHENYLALANINE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C9H10FNO2 |
Molecular Weight: | 183.182 |
Synonyms: | 3-Fluoro-D-phenylalanine;D-3-Fluorophenylalanine;D-m-Fluorophenylalanine;m-Fluoro-D-phenylalanine; |
EINECS: | 220-104-1 |
Density: | 1.293g/cm3 |
Boiling Point: | 305 °C at 760 mmHg |
Flash Point: | 138.3 °C |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 63.32000 |
LogP: | 1.48040 |
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The D-Phenylalanine,3-fluoro-, with CAS registry number 110117-84-5, belongs to the following product categories: (1)Amino Acids; (2)A-amino. It has the systematic name of 3-fluoro-D-phenylalanine. This chemical should be stored at the temperature of 0-5°C. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.
Physical properties of D-Phenylalanine,3-fluoro-: (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: 18.03×10-24cm3; (15)Surface Tension: 51.2 dyne/cm; (16)Enthalpy of Vaporization: 57.6 kJ/mol; (17)Vapour Pressure: 0.000369 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)C[C@H](C(=O)O)N
(2)InChI: InChI=1/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(3)InChIKey: VWHRYODZTDMVSS-MRVPVSSYBU
(4)Std. InChI: InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(5)Std. InChIKey: VWHRYODZTDMVSS-MRVPVSSYSA-N