AG005B7D

754971-91-0 | L-2,5-Dichlorophenylalanine

AG005B7D

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CAS Number	754971-91-0
Catalog Number	AG005B7D(AGN-PC-0OHNEY)
Chemical Name	L-2,5-Dichlorophenylalanine
IUPAC Name	(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid
InChI	InChI=1S/C9H9Cl2NO2/c10-6-1-2-7(11)5(3-6)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
InChI Key	SDKIMTATYJGPBJ-QMMMGPOBSA-N
MDL Number	MFCD07372017
Molecular Formula	C9H9Cl2NO2
Molecular Weight	234.0793
SMILES	O=C(O)[C@@H](N)CC1=CC(Cl)=CC=C1Cl
Synonyms	754971-91-0, (S)-2-Amino-3-(2,5-dichlorophenyl)propanoic acid, L-2,5-Dichlorophenylalanine, H-Phe(2,5-DiCl)-OH, 2,5-Dichloro-L-Phenylalanine, AMGLY00200, L-Phenylalanine,2,5-dichloro-, CTK5E1631, DTXSID80476502, ZINC3679845, MFCD07372017, AKOS016009559, AB33529, DS-5194, AJ-45312, ST24035949, Z5967, (2S)-2-AMINO-3-(2,5-DICHLOROPHENYL)PROPANOIC ACID, C9H9Cl2NO2, D-2,5-DICHLOROPHENYLALANINE, ACN-026141, (R)-2-Amino-3-(2,5-dichlorophenyl)propanoic acid, (S)-2-AMINO-3-(2,5-DICHLOROPHENYL)PROPANOICACID, 718596-54-4,

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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