AG000FDQ

114873-12-0 | D-Phenylalanine, 2,4-dichloro-N-[(1,1-dimethylethoxy)carbonyl]-

AG000FDQ

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CAS Number	114873-12-0
Catalog Number	AG000FDQ(AGN-PC-0NYKSQ)
Chemical Name	D-Phenylalanine, 2,4-dichloro-N-[(1,1-dimethylethoxy)carbonyl]-
IUPAC Name	(2R)-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-/m1/s1
InChI Key	KSDWBXFRQWMWHO-LLVKDONJSA-N
MDL Number	MFCD01862941
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	114873-12-0, (R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid, BOC-D-2,4-DICHLOROPHENYLALANINE, Boc-Phe(2,4-Cl2)-OH, BOC-D-2,4-DICHLOROPHE, Boc-2,4-Dichloro-D-Phenylalanin, D-Phenylalanine, 2,4-dichloro-N-[(1,1-dimethylethoxy)carbonyl]-, MFCD01862942, AK117380, BOC-D-PHE(2,4-DICL)-OH, SCHEMBL4288943, Boc-R-2,4-dichlorophenylalanine, KS-00000IOS, KSDWBXFRQWMWHO-LLVKDONJSA-N, Boc-D-2,4-Dichloro phenylalanine, ZINC2386870, ZX-AT014608, CB-736, MFCD01862941, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(2,4-dichlorophenyl)propanoic acid, AKOS015836517, AB10275, AM82017, D73B040, DS-4974, OR14603, AJ-35397, SC-89499, AX8017630, ST50826221, K-1068, Boc-D-Phe(2,4-Cl2)-OH, >=98.0% (TLC), N-(tert-butoxycarbonyl)-2,4-dichloro-D-phenylalanine, (R)-2-tert-butoxycarbonylamino-3-(2,4-dichlorophenyl)propionic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(2,4-dichlorophenyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(2,4-dichlorophenyl)propionic acid, (2R)-3-(2,4-dichlorophenyl)-2-[(tert-butoxy)carbonylamino]propanoic acid, (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(2,4-dichlorophenyl)propanoic acid, (2R)-3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2R)-3-(2,4-dichlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, (R)-2-TERT-BUTOXYCARBONYLAMINO-3-(2,4-DICHLORO-PHENYL)-PROPIONIC ACID, Boc-2,4-dichloro-D-phenylalanine, CID7010031, 114873-04-0, (R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoicacid, 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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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