AG00APGP

154-07-4 | 5-Chloro-DL-tryptophan

AG00APGP

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CAS Number	154-07-4
Catalog Number	AG00APGP(AGN-PC-0O4DWS)
Chemical Name	5-Chloro-DL-tryptophan
IUPAC Name	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)
InChI Key	TUKKZLIDCNWKIN-UHFFFAOYSA-N
MDL Number	MFCD18808062
Molecular Formula	C11H11ClN2O2
Molecular Weight	238.6702
SMILES	NC(CC1=CNC2=CC=C(Cl)C=C12)C(O)=O
Synonyms	5-chloro-dl-tryptophan, 154-07-4, 2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid, C-5550, 5-Chlorotryptophan #, AC1LC8HV, (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid, SCHEMBL195273, TUKKZLIDCNWKIN-UHFFFAOYSA-N, 5830AH, MFCD01074499, AKOS022660533, AK395135, AK405274, FT-0620315, DL-2-Amino-3-(5-chloroindolyl)propionic acid, Indole-3-propionic acid, .alpha.-amino-5-chloro-, 5-Chlorotryptophan, Tryptophan, 5-chloro-, C11H11ClN2O2, CID596210, (S)-2-Amino-3-(5-chloro-1H-indol-3-yl)propanoic acid, (R)-2-Amino-3-(5-chloro-1H-indol-3-yl)propanoic acid, 52448-15-4, 55325-48-9,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
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Certificate of Analysis

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