AG00DBN6

52448-17-6 | 6-Bromo-L-tryptophan

AG00DBN6

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CAS Number	52448-17-6
Catalog Number	AG00DBN6(AGN-PC-0OBPC6)
Chemical Name	6-Bromo-L-tryptophan
IUPAC Name	(2S)-2-amino-3-(6-bromo-1H-indol-3-yl)propanoic acid
InChI	InChI=1S/C11H11BrN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChI Key	OAORYCZPERQARS-VIFPVBQESA-N
MDL Number	MFCD17214433
Molecular Formula	C11H11BrN2O2
Molecular Weight	283.1212
SMILES	O=C(O)[C@@H](N)CC1=CNC2=C1C=CC(Br)=C2
Synonyms	6-Br-tryptophan, 6-bromotryptophan, 52448-17-6, 6-BROMO-L-TRYPTOPHAN, (S)-2-Amino-3-(6-bromo-1H-indol-3-yl)propanoic acid, 6-bromotryptophan, L-Tryptophan, 6-bromo-, L-6'-BROMOTRYPTOPHAN, 6-BROMO-TRYPTOPHAN, Tryptophan, 6-bromo-, SCHEMBL274624, CHEBI:47276, CTK1C0919, DTXSID40431894, OAORYCZPERQARS-VIFPVBQESA-N, ZINC2516136, 7405AB, ANW-66833, MFCD17214433, AJ-36954, AK-95362, AX8237673, TC-155578, X-3695, C11H11BrN2O2, CID9856996, 2-amino-3-(6-bromo-1H-indol-3-yl)propanoic Acid, (R)-2-Amino-3-(6-bromo-1H-indol-3-yl)propanoic acid, (S)-2-Amino-3-(6-bromo-1H-indol-3-yl)propanoicacid, 33599-61-0, 496930-10-0,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	282g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	283.125g/mol
Monoisotopic Mass	282g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number