AG00DBN5

52448-15-4 | (S)-2-AMINO-3-(5-CHLORO-1H-INDOL-3-YL)-PROPIONIC ACID

AG00DBN5

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CAS Number	52448-15-4
Catalog Number	AG00DBN5(AGN-PC-0WD6SP)
Chemical Name	(S)-2-AMINO-3-(5-CHLORO-1H-INDOL-3-YL)-PROPIONIC ACID
IUPAC Name	(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid
InChI	InChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChI Key	TUKKZLIDCNWKIN-VIFPVBQESA-N
MDL Number	MFCD06797629
Molecular Formula	C11H11ClN2O2
Molecular Weight	238.6702
SMILES	O=C(O)[C@@H](N)CC1=CNC2=C1C=C(Cl)C=C2
Synonyms	5-Chloro-L-tryptophan, 52448-15-4, 5-Chlorotryptophan, (S)-2-Amino-3-(5-chloro-1H-indol-3-yl)propanoic acid, Tryptophan, 5-chloro-, L-tryptophan, 5-chloro-, (S)-2-AMINO-3-(5-CHLORO-1H-INDOL-3-YL)-PROPIONIC ACID, W-202973, 5'-chloro-L-tryptophan, AC1LD90R, (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid, SCHEMBL195272, CTK0E7914, CHEBI:139481, TUKKZLIDCNWKIN-VIFPVBQESA-N, L-Tryptophan, 5-chloro- (9CI), ZINC2572392, MFCD06797629, AKOS027384335, DS-3322, AX8267535, C21865, (2S)-2-azanyl-3-(5-chloranyl-1H-indol-3-yl)propanoic acid, CID644330, 154-07-4,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	238.051g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	238.671g/mol
Monoisotopic Mass	238.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.1A^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-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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