AG002A33

205445-52-9 | Boc-L-3,5-difluorophenylalanine

AG002A33

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CAS Number	205445-52-9
Catalog Number	AG002A33(AGN-PC-0O7I7K)
Chemical Name	Boc-L-3,5-difluorophenylalanine
IUPAC Name	(2S)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChI Key	CZBNUDVCRKSYDG-NSHDSACASA-N
MDL Number	MFCD00797555
Molecular Formula	C14H17F2NO4
Molecular Weight	301.2859
SMILES	O=C(O)[C@H](CC1=CC(F)=CC(F)=C1)NC(OC(C)(C)C)=O
Synonyms	205445-52-9, Boc-L-3,5-Difluorophenylalanine, BOC-PHE(3,5-DIF)-OH, BOC-L-3,5-DIFLUOROPHE, BOC-PHE(3,5-F2)-OH, (S)-N-Boc-3,5-difluorophenylalanine, BOC-3,5-DIFLUORO-L-PHENYLALANINE, BOC-D-3,5-DIFLUOROPHENYLALANINE, (S)-2-((tert-Butoxycarbonyl)amino)-3-(3,5-difluorophenyl)propanoic acid, Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-, (2S)-2-(tert-butoxycarbonylamino)-3-(3,5-difluorophenyl)propanoic acid, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3,5-difluorophenyl)propanoic acid, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3,5-difluorophenyl)propionic acid, (2S)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, MFCD00797555, AC1MCUKE, PubChem23300, 3,5-DIFLUORO-D-PHENYLALANINE, N-BOC PROTECTED, 3,5-DIFLUORO-L-PHENYLALANINE, N-BOC PROTECTED, SCHEMBL1448035, CTK1J4110, CZBNUDVCRKSYDG-NSHDSACASA-N, ZINC2569502, ZX-AP000672, MFCD00797556, PC7119, SBB063932, AKOS015889851, AB07173, AC-9065, AN-7386, BL530-1, CB-1288, AK162896, BBV-77955124, BC205944, PS-11016, SC-10686, SC-19694, DB-001153, RT-011794, FT-0614609, W4323, 3,5-Difluoro-L-phenylalanine,N-BOC protected, B-7773, 445B529, AS-813/43497447, N-(tert-butoxycarbonyl)-3,5-difluorophenylalanine, Boc-Phe(3,5-F2)-OH, >=98.0% (HPLC), J-013398, N-(tert-butoxycarbonyl)-3,5-difluoro-L-phenylalanine, (S)-2-(tert-butoxycarbonyl)-3-(3,5-difluorophenyl)propanoic acid, 2-(S)-tert-butoxycarbonylamino-3-(3,5-difluorophenyl)propionic acid, L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-, (2S)-2-(tert-butoxycarbonylamino)-3-(3,5-difluorophenyl)propionic acid, (2S)-3-(3,5-difluorophenyl)-2-[(tert-butoxy)carbonylamino]propanoic acid, (2S)-3-(3,5-difluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, (2S)-3-[3,5-bis(fluoranyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(3,5-DIFLUOROPHENYL)PROPANOIC ACID, 669057-06-1, 3,5-difluoro-l-phenylalanine, Boc-3,5-difluoro-D-phenylalanine, Boc-L-3,5-Difluoro-phe-OH, C14H17F2NO4, CB11724, CID2779009, A4465, 205445-53-0, (2R)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	301.113g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	301.29g/mol
Monoisotopic Mass	301.113g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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

Lot Number