AG000FDP

114873-13-1 | D-Phenylalanine, 3,4-dichloro-N-[(1,1-dimethylethoxy)carbonyl]-

AG000FDP

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CAS Number	114873-13-1
Catalog Number	AG000FDP(AGN-PC-0NYKSV)
Chemical Name	D-Phenylalanine, 3,4-dichloro-N-[(1,1-dimethylethoxy)carbonyl]-
IUPAC Name	(2R)-3-(3,4-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)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChI Key	UGZIQCCPEDCGGN-LLVKDONJSA-N
MDL Number	MFCD00151887
Molecular Formula	C14H17Cl2NO4
Molecular Weight	334.1951
SMILES	O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(Cl)C(Cl)=C1
Synonyms	114873-13-1, Boc-3,4-dichloro-D-phenylalanine, Boc-D-Phe(3,4-Cl2)-OH, BOC-D-3,4-DICHLOROPHE, (R)-2-((tert-Butoxycarbonyl)amino)-3-(3,4-dichlorophenyl)propanoic acid, MFCD00151887, D-Phenylalanine, 3,4-dichloro-N-[(1,1-dimethylethoxy)carbonyl]-, Boc-D-3,4-Dichlorophenylalanine, AK162594, SCHEMBL1311165, CTK8C5724, KS-00000IOR, UGZIQCCPEDCGGN-LLVKDONJSA-N, Boc-D-3,4-Dichloro phenylalanine, BOC-D-PHE(3,4-DICL)-OH, ZINC2517124, ZX-AT014612, BOC-3,4-DICHLORO-D-PHE-OH, CB-738, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(3,4-dichlorophenyl)propanoic acid, AKOS015836544, AB04015, AC-9882, AM82044, CS-W011934, DS-7827, OR14607, RTR-002714, CC-24927, SC-10633, N-BOC-D-3,4-DICHLOROPHENYLALANINE, AX8017629, N-BOC-3,4-DICHLORO-D-PHENYLALANINE, TL8000440, TR-002714, FT-0652861, ST24035234, ST50826222, 73D131, K-1069, tert-Butoxycarbonyl-D-3,4-dichlorophenylalanine, C-35267, Boc-D-Phe(3,4-Cl2)-OH, >=98.0% (TLC), I01-5218, J-003150, N-tert-Butoxycarbonyl-3,4-dichloro-D-phenylalanine, (2R)-2-(tert-butoxycarbonylamino)-3-(3,4-dichlorophenyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(3,4-dichlorophenyl)propionic acid, (2R)-3-(3,4-dichlorophenyl)-2-[(tert-butoxy)carbonylamino]propanoic acid, (2R)-3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2R)-3-(3,4-dichlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, (R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(3,4-DICHLOROPHENYL)PROPANOIC ACID, Boc-3,4-dichloro-L-phenylalanine, ACN-026149, CID7015811, 80741-39-5, 3-(3,4-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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