AG001XQD

167993-00-2 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2,4-difluoro-

AG001XQD

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CAS Number	167993-00-2
Catalog Number	AG001XQD(AGN-PC-0WBQK6)
Chemical Name	L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2,4-difluoro-
IUPAC Name	(2S)-3-(2,4-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)6-8-4-5-9(15)7-10(8)16/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChI Key	JNELGIOSRKVOJY-NSHDSACASA-N
MDL Number	MFCD07371996
Molecular Formula	C14H17F2NO4
Molecular Weight	301.2859
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(F)C=C1F
Synonyms	167993-00-2, (S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-difluorophenyl)propanoic acid, BOC-2,4-DIFLUORO-L-PHENYLALANINE, AK117606, Boc-L-2,4-Difluorophe, SCHEMBL5318364, Boc-L-2,4-Difluorophenylalanine, DTXSID50595395, (2S)-3-(2,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, ZINC8699145, 8573AA, MFCD07371996, AKOS015948909, AB33475, DS-5037, AJ-58169, AX8038726, N-(tert-Butoxycarbonyl)-2,4-difluoro-L-phenylalanine, (2S)-2-(tert-butoxycarbonylamino)-3-(2,4-difluorophenyl)propanoic acid, (2S)-2-(tert-butoxycarbonylamino)-3-(2,4-difluorophenyl)propionic acid, (2S)-3-(2,4-difluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, (2S)-3-[2,4-bis(fluoranyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, C14H17F2NO4, (R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-difluorophenyl)propanoic acid, (S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-difluorophenyl)propanoicacid, 167993-24-0,

Complexity	384
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-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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