AG000FE1

114873-00-6 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-

AG000FE1

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CAS Number	114873-00-6
Catalog Number	AG000FE1(AGN-PC-0NYKRW)
Chemical Name	L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-
EC Number	601-330-3
IUPAC Name	(2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key	NTWUXBKUDXGMHV-NSHDSACASA-N
MDL Number	MFCD00672520
Molecular Formula	C14H18FNO4
Molecular Weight	283.2954
SMILES	[H][C@@](CC1=C(F)C=CC=C1)(NC(=O)OC(C)(C)C)C(O)=O
Synonyms	114873-00-6, Boc-L-2-Fluorophenylalanine, Boc-Phe(2-F)-OH, BOC-L-2-Fluorophe, Boc-2-fluoro-L-phenylalanine, Boc-D-2-fluorophenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-fluorophenyl)propanoic acid, (S)-N-BOC-2-FLUOROPHENYLALANINE, MFCD00672520, Boc-L-phe(2-F)-OH, J-300398, (2S)-2-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid, (2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2S)-2-[(tert-butoxy)carbonylamino]-3-(2-fluorophenyl)propanoic acid, AK-81142, PubChem6121, Boc-2-Fluoro-L-Phe-OH, AC1MC19O, BOC-2-FLUORO-L-PHE, Boc-L-2-Fluoro phenylalanine, N-Boc-o-fluoro-L-phenylalanine, SCHEMBL1270141, DTXSID00370336, NTWUXBKUDXGMHV-NSHDSACASA-N, ZINC2567673, ZX-AP011197, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(2-fluorophenyl)propanoic acid, CB-727, PC0232, SBB066163, AKOS015895340, AB06790, AC-5824, AM83330, BL007-1, ACM186431969, AJ-41448, AN-10615, CC-25073, DS-16137, M070, M092, SC-00451, AX8005243, FT-0629973, ST24035848, ST50826093, Boc-Phe(2-F)-OH, >=98.0% (TLC), 73F006, C-17825, N-ALPHA-T-BUTYLOXYCARBONYL-L-2-FLUOROPHENYLALANINE, Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-, L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-, (2S)-2-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)propionic acid, (S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(2-FLUOROPHENYL)PROPANOIC ACID, (2S)-3-(2-fluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-D-Phe(2-F)-OH, C14H18FNO4, Boc-Phe(2-F)-OH - 5G 5g, ACN-034028, CID2734496, A7538, 114873-10-8, 186431-96-9, 3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(2-fluorophenyl)propionic acid; N-Boc-2-Fluoro-L-phenylalanine; N-tert-Butoxycarbonyl-L-2-fluorophenylalanine,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	283.122g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	283.299g/mol
Monoisotopic Mass	283.122g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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