AG003OFA

346694-78-8 | Boc-D-2-trifluoromethylphenylalanine

AG003OFA

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CAS Number	346694-78-8
Catalog Number	AG003OFA(AGN-PC-0O95UA)
Chemical Name	Boc-D-2-trifluoromethylphenylalanine
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
InChI	InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-6-4-5-7-10(9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChI Key	XKMOOODKNPYTEE-LLVKDONJSA-N
MDL Number	MFCD01862945
Molecular Formula	C15H18F3NO4
Molecular Weight	333.3029
SMILES	O=C(O)[C@@H](CC1=CC=CC=C1C(F)(F)F)NC(OC(C)(C)C)=O
Synonyms	346694-78-8, Boc-D-2-Trifluoromethylphenylalanine, (R)-2-((tert-butoxycarbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid, N-Boc-2-trifluoromethyl-D-phenylalanine, n-boc-2-(trifluoromethyl)-d-phenylalanine, boc-d-2-trifluoromethylphe, boc-2-trifluoromethyl-d-phenylalanine, Boc-D-Phe(2-CF3)-OH, Boc-2-(trifluoromethyl)-D-phenylalanine, (2r)-2-[(tert-butoxycarbonyl)amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid, N-(tert-butoxycarbonyl)-2-(trifluoromethyl)-D-phenylalanine, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid, (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid, MFCD01862945, MFCD01862946, 2-(trifluoromethyl)-d-phenylalanine, n-boc protected, boc-d-2-trifluoromethyl-phe-oh, SCHEMBL3557995, CTK8C5225, DTXSID10426595, (2S)-2-[(tert-butoxycarbonyl)amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid, XKMOOODKNPYTEE-LLVKDONJSA-N, ZINC2386874, ZX-AP012300, ANW-74824, PC8355, AB10282, AC-9068, AM83484, CB-1281, RTR-014337, VZ35860, n-boc-d-2-trifluoromethyl phenylalanine, AJ-35398, AK-25819, AS-36861, AB0020319, AX8020351, TR-014337, FT-0652752, V1160, K-7887, 694B788, A822342, Boc-D-Phe(2-CF3)-OH, >=98.0% (TLC), 2-(Trifluoromethyl)-L-phenylalanine, N-BOC protected, (r)-2-tert-butoxycarbonylamino-3-(2-trifluoromethyl-phenyl)-propionic acid, N-[(1,1-dimethylethoxy)carbonyl]-2-(trifluoromethyl)-D-phenylalanine, (2R)-2-(tert-butoxycarbonylamino)-3-[2-(trifluoromethyl)phenyl]propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-[2-(trifluoromethyl)phenyl]propionic acid, (r)-2-(tert-butoxycarbonylamino)-3-(2-(trifluoromethyl)phenyl)propanoic acid, Boc-Phe(2-CF3)-OH, C15H18F3NO4, Boc-2-(trifluoromethyl)-L-phenylalanine, BOC-L-2-TRIFLUOROMETHYLPHE, Boc-L-2-Trifluoromethylphenylalanine, CID7010037, 167993-21-7, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic Acid,

Complexity	431
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	333.119g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	333.307g/mol
Monoisotopic Mass	333.119g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number