AG00DABY

548769-96-6 | N-Benzyl 4-boronobenzenesulfonamide

AG00DABY

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CAS Number	548769-96-6
Catalog Number	AG00DABY(AGN-PC-03JLSV)
Chemical Name	N-Benzyl 4-boronobenzenesulfonamide
IUPAC Name	[4-(benzylsulfamoyl)phenyl]boronic acid
InChI	InChI=1S/C13H14BNO4S/c16-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-4-2-1-3-5-11/h1-9,15-17H,10H2
InChI Key	LRHAPENXSWTNOS-UHFFFAOYSA-N
MDL Number	MFCD06659845
Molecular Formula	C13H14BNO4S
Molecular Weight	291.1306
SMILES	O=S(C1=CC=C(B(O)O)C=C1)(NCC2=CC=CC=C2)=O
Synonyms	548769-96-6, (4-(N-Benzylsulfamoyl)phenyl)boronic acid, N-Benzyl 4-boronobenzenesulfonamide, 4-(N-Benzylsulphonamido)benzeneboronic acid, ACMC-209ljt, SCHEMBL5651347, CTK5A2707, DTXSID60621972, LRHAPENXSWTNOS-UHFFFAOYSA-N, N-benzyl-4-boronobenzenesulfonamide, 4-benzylsulfamoylbenzeneboronic acid, ZX-AT009997, 4-(benzylsulfamoyl)phenylboronic acid, ANW-32199, MFCD06659845, OR4116, AKOS015833548, ZINC169745116, AB26461, AM87058, [4-(Benzylsulfamoyl)phenyl]boronic acid, AX8221150, TC-120944, TR-019385, X0886, B-8203, I01-10620, Boronic acid,[4-[[(phenylmethyl)amino]sulfonyl]phenyl]- (9CI), Not Available, 4- BENZENEBORONICACID, C13H14BNO4S, ACN-042963, (4-(N-Benzylsulfamoyl)phenyl)boronicacid, 4-(BENZYLSULFAMOYL)BENZENEBORONIC ACID,

Complexity	382
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.074g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	291.128g/mol
Monoisotopic Mass	291.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	95A^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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