AG003R6W

111119-36-9 | H-Phe(2,4-DiCl)-OH

AG003R6W

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CAS Number	111119-36-9
Catalog Number	AG003R6W(AGN-PC-0NXKLF)
Chemical Name	H-Phe(2,4-DiCl)-OH
IUPAC Name	(2S)-2-amino-3-(2,4-dichlorophenyl)propanoic acid
InChI	InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
InChI Key	GWHQTNKPTXDNRM-QMMMGPOBSA-N
MDL Number	MFCD01860882
Molecular Formula	C9H9Cl2NO2
Molecular Weight	234.0793
SMILES	O=C(O)[C@@H](N)CC1=CC=C(Cl)C=C1Cl
Synonyms	111119-36-9, 2,4-Dichloro-L-phenylalanine, L-2,4-Dichlorophenylalanine, (S)-2-Amino-3-(2,4-dichlorophenyl)propanoic acid, H-PHE(2,4-DICL)-OH, (2S)-2-amino-3-(2,4-dichlorophenyl)propanoic acid, L-2,4-DICHLOROPHE, L-Phenylalanine, 2,4-dichloro-, MFCD01860882, (2S)-2-azanyl-3-(2,4-dichlorophenyl)propanoic acid, 2,4-dichlorophenylalanine, PubChem18710, (2R)-2-Amino-3-(2,4-dichlorophenyl)propionic acid, SCHEMBL44905, L-2,4-Dichloro phenylalanine, AC1MC534, CTK7I3496, KS-00000YUT, DTXSID60375802, GWHQTNKPTXDNRM-QMMMGPOBSA-N, H-PHE(2,4-CL2)-OH, 2,4-DICHLORO-PHENYLALANINE, ZINC1652105, CD-705, SBB064546, AB10100, AC-5846, AL156-1, AM82013, AJ-28817, AN-10566, AS-48689, M235, M600, RT-002131, TL8000333, FT-0651845, ST24035947, K-0914, (S)-alpha-Amino-2,4-dichlorobenzenepropanoic acid, 119P369, A802295, I01-5110, I01-5111, (2S)-2-amino-3-(2,4-dichlorophenyl)propionic acid, (S)-2-AMINO-3-(2,4-DICHLORO-PHENYL)-PROPIONIC ACID, D-2,4-Dichlorophenylalanine, C9H9Cl2NO2, 2,4-Dichloro-D-phenylalanine, NSC14790, ACN-026207, CID2761497, (S)-2-Amino-3-(2,4-dichlorophenyl)propanoicacid, (S)-2-Amino-3-(3,4-dichlorophenyl)propanoic acid, 114872-98-9, (2R)-2-amino-3-(2,4-dichlorophenyl)propanoic acid, N/A,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	233.001g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	234.076g/mol
Monoisotopic Mass	233.001g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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