AG00GUAT

93299-40-2 | 5-BROMO-D-TRYPTOPHAN

AG00GUAT

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CAS Number	93299-40-2
Catalog Number	AG00GUAT(AGN-PC-0ONLEB)
Chemical Name	5-BROMO-D-TRYPTOPHAN
IUPAC Name	(2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
InChI	InChI=1S/C11H11BrN2O2/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-/m1/s1
InChI Key	KZDNJQUJBMDHJW-SECBINFHSA-N
MDL Number	MFCD09264327
Molecular Formula	C11H11BrN2O2
Molecular Weight	283.1212
SMILES	O=C(O)[C@H](N)CC1=CNC2=C1C=C(Br)C=C2
Synonyms	93299-40-2, (R)-2-Amino-3-(5-bromo-1H-indol-3-yl)propanoic acid, 5-BROMO-D-TRYPTOPHAN, d-5-bromotryptophan, AC1LELWF, D-Tryptophan, 5-bromo-, (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid, SCHEMBL5493779, CTK8C1524, ZINC57132, DTXSID50350885, CS-D0064, 5790AC, ANW-66829, MFCD09264327, AJ-09603, AK-95366, AS-38632, AX8237677, TC-155574, ST24035316, (alphaR)-5-Bromo-alpha-amino-1H-indole-3-propionic acid, 5-Bromotryptophan, C11H11BrN2O2, CID688350, (R)-2-Amino-3-(5-bromo-1H-indol-3-yl)propanoicacid,

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	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number