AG000FDX

114873-04-0 | (S)-Boc-2,4-dichlorophenylalanine

AG000FDX

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CAS Number	114873-04-0
Catalog Number	AG000FDX(AGN-PC-0NYKS6)
Chemical Name	(S)-Boc-2,4-dichlorophenylalanine
IUPAC Name	(2S)-3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H17Cl2NO4/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	KSDWBXFRQWMWHO-NSHDSACASA-N
MDL Number	MFCD01862942
Molecular Formula	C14H17Cl2NO4
Molecular Weight	334.1951
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(Cl)C=C1Cl
Synonyms	114873-04-0, Boc-L-2,4-Dichlorophenylalanine, (S)-Boc-2,4-Dichlorophenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid, Boc-L-2,4-Dichlorophe, Boc-D-Phe(2,4-Cl2)-OH, Boc-2,4-Dichloro-L-Phenylalanin, L-Phenylalanine, 2,4-dichloro-N-[(1,1-dimethylethoxy)carbonyl]-, (2S)-2-(tert-butoxycarbonylamino)-3-(2,4-dichlorophenyl)propanoic acid, (2S)-3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, BOC-D-2,4-DICHLOROPHENYLALANINE, MFCD01862942, AK163610, (D)-Boc-2,4-Dichlorophenylalanine, (L)-Boc-2,4-Dichlorophenylalanine, AC1MC1OW, SCHEMBL1614505, Boc-Phe(2,4-Cl2)-OH?, KS-00000IOP, Boc-L-2,4-Dichloro phenylalanine, ZINC2386871, ZX-AT014607, N-Boc-2,4-dichloro-L-phenylalanine, SBB064549, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(2,4-dichlorophenyl)propanoic acid, AKOS015836621, AKOS015890043, AC-5848, AC-5849, AM82016, BL156-1, OR14602, AN-10568, AS-14663, M067, M089, AX8017627, TR-002707, TR-002716, FT-0655441, FT-0656857, FT-0679827, K-1066, 873B040, Boc-Phe(2,4-Cl2)-OH, >=98.0% (TLC), I01-5114, I01-5219, J-003144, J-003149, (2S)-2-(tert-butoxycarbonylamino)-3-(2,4-dichlorophenyl)propionic acid, (2S)-3-(2,4-dichlorophenyl)-2-[(tert-butoxy)carbonylamino]propanoic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(2,4-dichlorophenyl)propanoic acid, (2S)-3-(2,4-dichlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-Phe(2,4-Cl2)-OH, C14H17Cl2NO4, Boc-2,4-dichloro-L-phenylalanine, CID2734683, 114873-12-0, 3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	333.053g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	334.193g/mol
Monoisotopic Mass	333.053g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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