AG0036GK

80741-39-5 | Boc-3,4-dichloro-L-phenylalanine

AG0036GK

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CAS Number	80741-39-5
Catalog Number	AG0036GK(AGN-PC-0WACNN)
Chemical Name	Boc-3,4-dichloro-L-phenylalanine
IUPAC Name	(2S)-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-/m0/s1
InChI Key	UGZIQCCPEDCGGN-NSHDSACASA-N
MDL Number	MFCD00273436
Molecular Formula	C14H17Cl2NO4
Molecular Weight	334.1951
SMILES	O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(c(c1)Cl)Cl
Synonyms	80741-39-5, Boc-3,4-dichloro-L-phenylalanine, Boc-Phe(3,4-DiCl)-OH, BOC-L-3,4-Dichlorophe, Boc-L-3,4-Dichlorophenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(3,4-dichlorophenyl)propanoic acid, MFCD00273436, Boc-Phe(3,4-Cl2)-OH, (2S)-2-(tert-butoxycarbonylamino)-3-(3,4-dichlorophenyl)propanoic acid, (2S)-3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, Boc-D-3,4-Dichlorophenylalanine, AK163581, AC1MC1A3, Boc-3,4-dichloro-Phe-OH, SCHEMBL1529592, CTK8C5723, UGZIQCCPEDCGGN-NSHDSACASA-N, Boc-L-3,4-Dichloro phenylalanine, KS-00000H6Z, ZINC2564715, ZX-AT014611, CB-737, SBB064126, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3,4-dichlorophenyl)propanoic acid, AKOS015890010, AC-9883, AM82043, BL161-1, DS-8262, OR14606, AN-33275, AN-36347, M075, M098, AX8015457, DB-022705, TL8006693, TR-025488, FT-0641772, 41D395, Boc-Phe(3,4-Cl2)-OH, >=98.0% (TLC), C-20136, (2S)-2-(tert-butoxycarbonylamino)-3-(3,4-dichlorophenyl)propionic acid, (2S)-3-(3,4-dichlorophenyl)-2-[(tert-butoxy)carbonylamino]propanoic acid, (s)-2-(tert-butoxycarbonylamino)-3-(3,4-dichlorophenyl)propanoic acid, (S)-2-tert-butoxycarbonylamino-3-(3,4-dichloro-phenyl)-propionic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dichlorophenyl)propanoic acid, (2S)-3-(3,4-dichlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, C14H17Cl2NO4, Boc-3,4-dichloro-D-phenylalanine, CID2734501, 114873-13-1, 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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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