AG004OT8

871329-76-9 | Ethyl 3-boronobenzenesulfonamide

AG004OT8

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CAS Number	871329-76-9
Catalog Number	AG004OT8(AGN-PC-0VB2O5)
Chemical Name	Ethyl 3-boronobenzenesulfonamide
IUPAC Name	[3-(ethylsulfamoyl)phenyl]boronic acid
InChI	InChI=1S/C8H12BNO4S/c1-2-10-15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6,10-12H,2H2,1H3
InChI Key	VPQGUZSIKYKFNS-UHFFFAOYSA-N
MDL Number	MFCD07783855
Molecular Formula	C8H12BNO4S
Molecular Weight	229.0612
SMILES	O=S(C1=CC(B(O)O)=CC=C1)(NCC)=O
Synonyms	871329-76-9, ETHYL 3-BORONOBENZENESULFONAMIDE, (3-(N-Ethylsulfamoyl)phenyl)boronic acid, 3-(EthylsulfaMoyl)benzeneboronic acid, [3-(ethylsulfamoyl)phenyl]boronic acid, 3-(N-Ethylsulfamoyl)phenylboronic acid, ACMC-209qgj, SCHEMBL934547, ethyl-3-boronobenzenesulfonamide, CTK5F7925, DTXSID40661210, ANW-38561, MFCD07783855, AKOS015833716, ZINC169744004, RTR-027226, OR361212, TR-027226, X2619, A26772, B-4660, Boronic acid,B-[3-[(ethylamino)sulfonyl]phenyl]-, I01-10633, C8H12BNO4S,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.058g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	229.057g/mol
Monoisotopic Mass	229.058g/mol
Rotatable Bond Count	4
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number