AG000FDY

114873-03-9 | L-Phenylalanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-

AG000FDY

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CAS Number	114873-03-9
Catalog Number	AG000FDY(AGN-PC-0NYKS4)
Chemical Name	L-Phenylalanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-
IUPAC Name	(2S)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key	RCZHBTHQISEPPP-NSHDSACASA-N
MDL Number	MFCD00672515
Molecular Formula	C14H18ClNO4
Molecular Weight	299.7500
SMILES	O=C(O)[C@H](CC1=CC=CC(Cl)=C1)NC(OC(C)(C)C)=O
Synonyms	114873-03-9, Boc-3-chloro-L-phenylalanine, BOC-PHE(3-CL)-OH, Boc-L-3-Chlorophenylalanine, (S)-N-Boc-3-Chlorophenylalanine, BOC-L-3-CHLOROPHE, (S)-2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid, MFCD00672515, AK-81143, Boc-D-3-Chlorophenylalanine, Phenylalanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, (2S)-2-(tert-butoxycarbonylamino)-3-(3-chlorophenyl)propanoic acid, (S)-2-(tert-butoxycarbonylamino)-3-(3-chlorophenyl)propanoic acid, N-BOC-3-CHLORO-L-PHENYLALANINE, (2S)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, Boc-L-phe(3-Cl)-OH, PubChem18604, N-(tert-Butoxycarbonyl)-D-3-chlorophenylalanine, Boc-Phe(3-Cl)_OH, Boc-3-Chloro-L-Phe-OH, AC1MC50G, Boc-L-3-Chloro phenylalanine, AMGLY00056, SCHEMBL1519627, BOC-L-3-CHLORO-PHE-OH, CTK7G8923, DTXSID00375785, ACN-S004642, KS-00000H7P, ZINC2567668, ZX-AT014487, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3-chlorophenyl)propanoic acid, ANW-54982, CB-733, SBB064572, AKOS015836523, AKOS015890205, AB06779, AC-9875, AM82744, BL026-1, L73B039, OR14544, RTR-002706, AJ-41444, AN-17261, AN-33268, DS-16138, M076, M099, AX8015511, TL8006687, TR-002706, A9944, FT-0642793, ST24035850, K-1065, I01-5155, (S)-2-(tert-butoxycarbonyl)-3-(3-chlorophenyl)propanoic acid, L-Phenylalanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, (2S)-2-(tert-butoxycarbonylamino)-3-(3-chlorophenyl)propionic acid, (2S)-2-[(tert-butoxy)carbonylamino]-3-(3-chlorophenyl)propanoic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3-chlorophenyl)propanoic acid, (2S)-3-(3-chlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-Phe(2-Cl)-OH, C14H18ClNO4, (R)-N-Boc-3-chlorophenylalanine, ACN-034003, CID2761465, 80102-25-6, 3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(3-chlorophenyl)propionic acid; (S)-2-(tert-Butoxycarbonylamino)-3-(3-chlorophenyl)propanoic acid, 114873-02-8, 188814-25-7,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	299.092g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	299.751g/mol
Monoisotopic Mass	299.092g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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