AG00GTDD

913835-52-6 | (4-(N-Acetylsulfamoyl)phenyl)boronic acid

AG00GTDD

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CAS Number	913835-52-6
Catalog Number	AG00GTDD(AGN-PC-0713K7)
Chemical Name	(4-(N-Acetylsulfamoyl)phenyl)boronic acid
IUPAC Name	[4-(acetylsulfamoyl)phenyl]boronic acid
InChI	InChI=1S/C8H10BNO5S/c1-6(11)10-16(14,15)8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key	CEUUKZMDDOCDTD-UHFFFAOYSA-N
MDL Number	MFCD08436010
Molecular Formula	C8H10BNO5S
Molecular Weight	243.0447
SMILES	O=S(C1=CC=C(B(O)O)C=C1)(NC(C)=O)=O
Synonyms	913835-52-6, (4-(N-Acetylsulfamoyl)phenyl)boronic acid, 4-(N-Acetylsulfamoyl)phenylboronic acid, 4-(N-Acetylsulphamoyl)benzeneboronic acid, N-Acetyl 4-boronobenzenesulfonamide, MFCD08436010, 4-(Acetylsulfamoyl)benzeneboronic acid, ACMC-209r9i, C8H10BNO5S, CTK3I6352, DTXSID60657453, ZX-AT000642, ANW-39604, OR9556, AKOS015837929, ZINC169745154, RTR-028646, [4-(Acetylsulfamoyl)phenyl]boronic acid, [4-(acetamidosulfonyl)phenyl]boronic acid, SC-86252, AX8230203, TR-028646, FT-0687807, ST24020516, V9009, A-3667, I04-1985, 4-(N-ACETYLSULPHAMOYL)BENZENEBORONIC ACID 97, 4- BENZENEBORONICACID97, 4-(ethanesulfonyl)phenylboronic acid, ACN-042953, (4-(N-Acetylsulfamoyl)phenyl)boronicacid,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.037g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	243.04g/mol
Monoisotopic Mass	243.037g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	112A^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

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