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N-Boc-2-(3-trifluoromethylphenyl)glycine

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Name

N-Boc-2-(3-trifluoromethylphenyl)glycine

EINECS N/A
CAS No. 146621-92-3 Density 1.297 g/cm3
PSA 75.63000 LogP 3.74670
Solubility N/A Melting Point N/A
Formula C14H16F3NO4 Boiling Point 398.5 °C at 760 mmHg
Molecular Weight 319.281 Flash Point 194.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 146621-92-3 (N-BOC-2-(3-TRIFLUOROMETHYL-PHENYL)-DL-GLYCINE) Hazard Symbols N/A
Synonyms

N-Boc-2-(3-trifluoromethylphenyl)glycine;N-Boc-2-(3-trifluoromethyl-phenyl)-DL-glycine;[(tert-Butoxycarbonyl)amino][3-(trifluoromethyl)phenyl]acetic acid;

Article Data 2

N-Boc-2-(3-trifluoromethylphenyl)glycine Specification

The Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethyl)-, with the CAS registry number 146621-92-3, is also known as N-Boc-2-(3-trifluoromethyl-phenyl)-DL-glycine. This chemical's molecular formula is C14H16F3NO4 and molecular weight is 319.28. What's more, its systematic name is [(tert-butoxycarbonyl)amino][3-(trifluoromethyl)phenyl]acetic acid.

Physical properties of Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethyl)- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.25; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 75.63 Å2; (12)Index of Refraction: 1.487; (13)Molar Refractivity: 70.84 cm3; (14)Molar Volume: 246 cm3; (15)Polarizability: 28.08×10-24cm3; (16)Surface Tension: 37.3 dyne/cm; (17)Density: 1.297 g/cm3; (18)Flash Point: 194.8 °C; (19)Enthalpy of Vaporization: 68.45 kJ/mol; (20)Boiling Point: 398.5 °C at 760 mmHg; (21)Vapour Pressure: 4.59E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)C(NC(=O)OC(C)(C)C)C(O)=O
(2)Std. InChI: InChI=1S/C14H16F3NO4/c1-13(2,3)22-12(21)18-10(11(19)20)8-5-4-6-9(7-8)14(15,16)17/h4-7,10H,1-3H3,(H,18,21)(H,19,20)
(3)Std. InChIKey: NVMKZXKHKQKKFE-UHFFFAOYSA-N

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