AG0015RA

1217500-61-2 | Oxindole-6-boronic acid

AG0015RA

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CAS Number	1217500-61-2
Catalog Number	AG0015RA(AGN-PC-0WAERE)
Chemical Name	Oxindole-6-boronic acid
IUPAC Name	(2-oxo-1,3-dihydroindol-6-yl)boronic acid
InChI	InChI=1S/C8H8BNO3/c11-8-3-5-1-2-6(9(12)13)4-7(5)10-8/h1-2,4,12-13H,3H2,(H,10,11)
InChI Key	YLNQBQVYRMHRAQ-UHFFFAOYSA-N
MDL Number	MFCD12913936
Molecular Formula	C8H8BNO3
Molecular Weight	176.9650
SMILES	O=C1NC2=C(C=CC(B(O)O)=C2)C1
Synonyms	1217500-61-2, (2-oxoindolin-6-yl)boronic acid, Oxindole-6-boronic acid, (2-Oxo-2,3-dihydro-1H-indol-6-yl)boronic acid, Boronic acid, B-(2,3-dihydro-2-oxo-1H-indol-6-yl)-, ACMC-209afd, SCHEMBL15415750, CTK4B2635, KS-00000REM, DTXSID20675411, ANW-17783, MFCD12913936, AKOS006335317, ZINC169905266, DS-9194, AK166924, TR-034655, BB 0261324, FT-0710550, Z8442, A-5516, I04-2906, C8H8BNO3, B-(2,3-dihydro-2-oxo-1H-indol-6-yl)Boronic acid,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.06g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	176.966g/mol
Monoisotopic Mass	177.06g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

Lot Number