AG00IIIG

947533-21-3 | Boronic acid, B-​[6-​(acetylamino)​-​3-​pyridinyl]​-

AG00IIIG

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CAS Number	947533-21-3
Catalog Number	AG00IIIG(AGN-PC-07B7CH)
Chemical Name	Boronic acid, B-​[6-​(acetylamino)​-​3-​pyridinyl]​-
IUPAC Name	(6-acetamidopyridin-3-yl)boronic acid
InChI	InChI=1S/C7H9BN2O3/c1-5(11)10-7-3-2-6(4-9-7)8(12)13/h2-4,12-13H,1H3,(H,9,10,11)
InChI Key	RCNAHNBBRFXANB-UHFFFAOYSA-N
MDL Number	MFCD09951917
Molecular Formula	C7H9BN2O3
Molecular Weight	179.9690
SMILES	N(C(=O)C)c1ccc(cn1)B(O)O
Synonyms	947533-21-3, (6-Acetamidopyridin-3-yl)boronic acid, 2-Acetamidopyridine-5-boronic acid, 6-acetamidopyridin-3-ylboronic acid, 6-Acetamidopyridine-3-boronic acid, 2-Acetamidopyridine-5-boronic acid, AldrichCPR, ACMC-209rti, SCHEMBL2418477, CTK5H7039, DTXSID50669787, (6-acetamido-3-pyridyl)boronic acid, ANW-40324, MFCD09951917, (6-acetamido-3-pyridinyl)boronic acid, AKOS006313493, ZINC169746335, RL05966, RTR-029592, NCGC00249516-01, AM807281, AS-31246, AB1007737, TR-029592, 4CH-005050, CS-0092048, ST24020652, V9463, A-3626, Boronic acid, B-[6-(acetylamino)-3-pyridinyl]-, J-518191, 6-Acetamidopyridine-3-boronic acid; 2-Acetamidopyridine-5-boronic acid, C7H9BN2O3, 2-Acetamidopyridine-5-boronicacid,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.071g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	179.97g/mol
Monoisotopic Mass	180.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	82.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precautionary statements

Certificate of Analysis

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