AG000FDZ

114873-02-8 | L-Phenylalanine, 2-chloro-N-[(1,1-dimethylethoxy)carbonyl]-

AG000FDZ

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CAS Number	114873-02-8
Catalog Number	AG000FDZ(AGN-PC-0NYKS1)
Chemical Name	L-Phenylalanine, 2-chloro-N-[(1,1-dimethylethoxy)carbonyl]-
IUPAC Name	(2S)-3-(2-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)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key	TUUQJNHCVFJMPU-NSHDSACASA-N
MDL Number	MFCD00672514
Molecular Formula	C14H18ClNO4
Molecular Weight	299.7500
SMILES	O=C(O)[C@H](CC1=CC=CC=C1Cl)NC(OC(C)(C)C)=O
Synonyms	114873-02-8, Boc-2-chloro-L-phenylalanine, Boc-Phe(2-Cl)-OH, Boc-L-2-Chlorophe, Boc-L-2-Chlorophenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid, Boc-D-Phe(2-Cl)-OH, L-Phenylalanine, 2-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, Boc-D-2-Chlorophenylalanine, (2S)-3-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2S)-2-(tert-butoxycarbonylamino)-3-(2-chlorophenyl)propanoic acid, (S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(2-CHLOROPHENYL)PROPANOIC ACID, AK-81141, AC1Q1MRR, AC1MC50A, KSC916S3T, Boc-L-2-Chloro phenylalanine, SCHEMBL1350265, (S)-Boc-2-chloro-phenylalanine, CTK8B6939, KS-00000IOO, TUUQJNHCVFJMPU-NSHDSACASA-N, ZINC2567667, ZX-AT018879, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(2-chlorophenyl)propanoic acid, ANW-54983, CB-731, MFCD00672514, SBB064548, AKOS015836636, AKOS015890042, AB06777, AC-5841, AM82735, BL001-1, CS-W012135, OR14540, PS-7133, RTR-002705, AJ-41443, AN-10560, AN-10561, BC210841, M069, M091, SC-10542, AX8017626, TL8006686, TR-002705, FT-0642782, Boc-Phe(2-Cl)-OH, >=98.0% (TLC), 73C028, N-(tert-butoxycarbonyl)-2-chloro-L-phenylalanine, I01-5113, J-003143, (2S)-2-(tert-butoxycarbonylamino)-3-(2-chlorophenyl)propionic acid, (S)-2-Tert-Butoxycarbonylamino-3-(2-Chloro-Phenyl)-Propionic Acid, (2S)-2-[(tert-butoxy)carbonylamino]-3-(2-chlorophenyl)propanoic acid, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(2-chlorophenyl)propionic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(2-chlorophenyl)propanoic acid, (2S)-3-(2-chlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, C14H18ClNO4, CID2761463, 80102-23-4, 3-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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