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89426-34-6

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Basic Information
CAS No.: 89426-34-6
Name: 4-FLUORO-L-THREONINE
Article Data: 1
Molecular Structure:
Molecular Structure of 89426-34-6 (4-FLUORO-L-THREONINE)
Formula: C4H8FNO3
Molecular Weight: 137.111
Synonyms: 4-Fluoro-L-threonine;g-Fluoro-L-threonine;4-Fluorothreonine;
Density: 1.419 g/cm3
Boiling Point: 388.9 °C at 760 mmHg
Flash Point: 189 °C
PSA: 83.55000
LogP: -0.57100
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Specification

The L-Threonine, 4-fluoro- is an organic compound with the formula C4H8FNO3. The systematic name of this chemical is 4-fluoro-L-threonine. With the CAS registry number 89426-34-6, it is also named as 4-Fluorothreonine.

Physical properties about L-Threonine, 4-fluoro- are: (1)ACD/LogP: -0.78; (2)ACD/LogD (pH 5.5): -3.28; (3)ACD/LogD (pH 7.4): -3.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.477; (13)Molar Refractivity: 27.29 cm3; (14)Molar Volume: 96.5 cm3; (15)Polarizability: 10.82×10-24cm3; (16)Surface Tension: 55.1 dyne/cm; (17)Density: 1.419 g/cm3; (18)Flash Point: 189 °C; (19)Enthalpy of Vaporization: 73.79 kJ/mol; (20)Boiling Point: 388.9 °C at 760 mmHg; (21)Vapour Pressure: 1.18E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC[C@@H](O)[C@H](N)C(=O)O
(2)InChI: InChI=1/C4H8FNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3+/m1/s1
(3)InChIKey: GTFWIYJIEXNAOL-GBXIJSLDBB
(4)Std. InChI: InChI=1S/C4H8FNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3+/m1/s1
(5)Std. InChIKey: GTFWIYJIEXNAOL-GBXIJSLDSA-N