AG00D8PO

54904-23-3 | 3-(5-BROMO-1H-INDOL-3-YL)-PROPIONIC ACID

AG00D8PO

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CAS Number	54904-23-3
Catalog Number	AG00D8PO(AGN-PC-01W75O)
Chemical Name	3-(5-BROMO-1H-INDOL-3-YL)-PROPIONIC ACID
IUPAC Name	3-(5-bromo-1H-indol-3-yl)propanoic acid
InChI	InChI=1S/C11H10BrNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15)
InChI Key	DRCUGRYTGTWNRN-UHFFFAOYSA-N
MDL Number	MFCD02325723
Molecular Formula	C11H10BrNO2
Molecular Weight	268.1066
SMILES	O=C(O)CCC1=CNC2=C1C=C(Br)C=C2
Synonyms	54904-23-3, 5-Bromo-Indol-3-propionic acid, 3-(5-bromo-1H-indol-3-yl)propanoic acid, 5-bromoindole-3-propionic acid, 5-Bromoindol-3-propionic acid, 3-(5-bromo-1h-indol-3-yl)-propionic acid, Q-102923, Oprea1_305302, SCHEMBL1122319, 5-Bromo-Indol-3-propanoic acid, CTK1G9126, 5-bromo-indole-3-Propanoic acid, DTXSID30593910, DRCUGRYTGTWNRN-UHFFFAOYSA-N, ZINC2581596, MFCD02325723, 1H-Indole-3-propanoicacid, 5-bromo-, AKOS015898499, AC-6735, 1H-Indole-3-propanoic acid, 5-bromo-, AJ-43038, AS-35399, AB0073136, AX8034055, BB0262776, DB-071922, BB 0262776, FT-0657734, A-1850, I10-0277, 5-Bromo-Indol-3-propionicacid,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.989g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	268.11g/mol
Monoisotopic Mass	266.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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