AG00DBN8

52448-16-5 | 4-BROMO-L-TRYPTOPHAN

AG00DBN8

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CAS Number	52448-16-5
Catalog Number	AG00DBN8(AGN-PC-0WBOJ8)
Chemical Name	4-BROMO-L-TRYPTOPHAN
IUPAC Name	(2S)-2-amino-3-(4-bromo-1H-indol-3-yl)propanoic acid
InChI	InChI=1S/C11H11BrN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1
InChI Key	OFKIVYVSESEHFZ-QMMMGPOBSA-N
MDL Number	MFCD10565749
Molecular Formula	C11H11BrN2O2
Molecular Weight	283.1212
SMILES	N[C@H](C(=O)O)CC1=CNC2=CC=CC(=C12)Br
Synonyms	52448-16-5, (S)-2-Amino-3-(4-bromo-1H-indol-3-yl)propanoic acid, 4-BROMO-L-TRYPTOPHAN, 4-bromotryptophan, dl-4-bromotryptophan, L-Tryptophan, 4-bromo-, SCHEMBL7485105, CTK1G2651, DTXSID80431893, 7404AB, ANW-66834, MFCD10565749, ZINC36407194, AJ-92775, AK-95361, AX8237672, TC-155579, C11H11BrN2O2, CID9856995, 2-amino-3-(4-bromo-1H-indol-3-yl)propanoic Acid, (S)-2-Amino-3-(4-bromo-1H-indol-3-yl)propanoicacid, 25796-04-7,

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	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number