CAS No.73246-30-7,3,5-Difluoro-L-tyrosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73246-30-7
Name:	3,5-Difluoro-L-tyrosine
Article Data:	10

Formula:	C₉H₉F₂NO₃
Molecular Weight:	217.172
Synonyms:	3,5-Difluoro-L-tyrosine;Benzenepropanoic acid, β-amino-α,α-difluoro-4-hydroxy-, (betaR)-;
Density:	1.475 g/cm³
Boiling Point:	387.9 °C at 760 mmHg
Flash Point:	188.4 °C
PSA:	83.55000
LogP:	1.32510

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Specification

The systematic name of 3,5-Difluoro-L-tyrosine is (3R)-3-ammonio-2,2-difluoro-3-(4-hydroxyphenyl)propanoate. With the CAS registry number 73246-30-7, it is also named as Benzenepropanoic acid, β-amino-α,α-difluoro-4-hydroxy-, (betaR)-. In addition, its molecular formula is C₉H₉F₂NO₃ and molecular weight is 217.17.

The other characteristics of 3,5-Difluoro-L-tyrosine can be summarized as: (1)ACD/LogP: 1.51; (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: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 88 Å²; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 47.71 cm³; (13)Molar Volume: 147.1 cm³; (14)Polarizability: 18.91×10^-24cm³; (15)Surface Tension: 55.8 dyne/cm; (16)Density: 1.475 g/cm³; (17)Flash Point: 188.4 °C; (18)Enthalpy of Vaporization: 67.19 kJ/mol; (19)Boiling Point: 387.9 °C at 760 mmHg; (20)Vapour Pressure: 1.04E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(ccc1[C@H](C(C(=O)[O-])(F)F)[NH3+])O
(2)InChI: InChI=1/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1
(3)InChIKey: GYPNQHABJBHUCN-SSDOTTSWBX
(4)Std. InChI: InChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1
(5)Std. InChIKey: GYPNQHABJBHUCN-SSDOTTSWSA-N