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CAS No.: | 19883-57-9 |
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Name: | (S)-4-Fluorophenylglycine |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H8FNO2 |
Molecular Weight: | 169.155 |
Synonyms: | Benzeneaceticacid, a-amino-4-fluoro-, (S)-;Glycine,2-(p-fluorophenyl)-, L- (8CI);(S)-2-Amino-2-(4-fluorophenyl)ethanoic acid;L-(4-Fluorophenyl)glycine;L-(p-Fluorophenyl)glycine; |
EINECS: | 300-363-8 |
Density: | 1.347 g/cm3 |
Melting Point: | ≥300 °C |
Boiling Point: | 289.9 °C at 760 mmHg |
Flash Point: | 129.1 °C |
Appearance: | white to light yellow crystal powder |
Safety: | 24/25 |
PSA: | 63.32000 |
LogP: | 1.61040 |
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The CAS register number of (S)-4-Fluorophenylglycine is 19883-57-9. It also can be called as 4-Fluoro-L-alpha-phenylglycine and the systematic name about this chemical is N-(4-fluorophenyl)glycine. The molecular formula about this chemical is C8H8FNO2 and the molecular weight is 169.15. It belongs to the following product categories, such as Pharmaceutical Raw Materials; Amino Acids Series; chiral; Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Aromatics and so on. When you are using it, please avoid contact with skin and eyes. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place.
Physical properties about (S)-4-Fluorophenylglycine are: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): -0.21; (3)ACD/LogD (pH 7.4): -1.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.76; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 42.05 cm3; (14)Molar Volume: 124.2 cm3; (15)Polarizability: 16.67x10-24cm3; (16)Surface Tension: 52.7 dyne/cm; (17)Enthalpy of Vaporization: 63.43 kJ/mol; (18)Boiling Point: 355.9 °C at 760 mmHg; (19)Vapour Pressure: 1.11E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(NCC(=O)O)cc1
(2)InChI: InChI=1/C8H8FNO2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
(3)InChIKey: ZFIMCCCQJDZLCT-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H8FNO2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
(5)Std. InChIKey: ZFIMCCCQJDZLCT-UHFFFAOYSA-N