AG004TVI

871329-80-5 | N,N-Diethyl 3-borono-4-methylbenzenesulfonamide

AG004TVI

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CAS Number	871329-80-5
Catalog Number	AG004TVI(AGN-PC-0VB2OD)
Chemical Name	N,N-Diethyl 3-borono-4-methylbenzenesulfonamide
IUPAC Name	[5-(diethylsulfamoyl)-2-methylphenyl]boronic acid
InChI	InChI=1S/C11H18BNO4S/c1-4-13(5-2)18(16,17)10-7-6-9(3)11(8-10)12(14)15/h6-8,14-15H,4-5H2,1-3H3
InChI Key	ZMDFCDXLFOODQX-UHFFFAOYSA-N
MDL Number	MFCD08056356
Molecular Formula	C11H18BNO4S
Molecular Weight	271.1409
SMILES	CC1=CC=C(S(=O)(N(CC)CC)=O)C=C1B(O)O
Synonyms	871329-80-5, N,N-Diethyl 3-borono-4-methylbenzenesulfonamide, (5-(N,N-Diethylsulfamoyl)-2-methylphenyl)boronic acid, MFCD08056356, 5-(N,N-Diethylsulphamoyl)-2-methylbenzeneboronic acid, Boronic acid,B-[5-[(diethylamino)sulfonyl]-2-methylphenyl]-, ACMC-209qgn, CTK5F7929, DTXSID80657430, ZX-AT001113, ANW-38565, OR9396, AKOS015833731, ZINC169745361, PS-9399, RTR-027230, TR-027230, FT-0688815, X2623, 5-(diethylsulfamoyl)-2-methylphenylboronic acid, B-4399, N,N-Diethyl-3-borono-4-methylbenzenesulfonamide, [5-(diethylsulfamoyl)-2-methylphenyl]boronic acid, N,N-Diethyl-3-borono-4-methylbenzene sulfonamide, I01-10571, Boronic acid, B-[5-[(diethylamino)sulfonyl]-2-methylphenyl]-, C11H18BNO4S,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.105g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	271.138g/mol
Monoisotopic Mass	271.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	86.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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