AG008FBL

871329-65-6 | N-Ethyl 4-boronobenzenesulfonamide

AG008FBL

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CAS Number	871329-65-6
Catalog Number	AG008FBL(AGN-PC-0VB2ND)
Chemical Name	N-Ethyl 4-boronobenzenesulfonamide
IUPAC Name	[4-(ethylsulfamoyl)phenyl]boronic acid
InChI	InChI=1S/C8H12BNO4S/c1-2-10-15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6,10-12H,2H2,1H3
InChI Key	YVKVLCDUDPTJEW-UHFFFAOYSA-N
MDL Number	MFCD07363751
Molecular Formula	C8H12BNO4S
Molecular Weight	229.0612
SMILES	OB(O)C1=CC=C(S(=O)(NCC)=O)C=C1
Synonyms	871329-65-6, N-Ethyl 4-boronobenzenesulfonamide, (4-(N-Ethylsulfamoyl)phenyl)boronic acid, MFCD07363751, [4-(ethylsulfamoyl)phenyl]boronic acid, Boronic acid,B-[4-[(ethylamino)sulfonyl]phenyl]-, ACMC-209qg9, SCHEMBL3915021, CTK5F7915, DTXSID00657215, N-ethyl-4-boronobenzenesulfonamide, ZX-AT001432, 4-(ethylsulfamoyl)phenylboronic acid, ANW-38551, OR4132, AKOS015833547, ZINC169745541, AB30688, PS-9556, 4-[(Ethylamino)sulfonyl]phenylboronic acid, TC-127296, TR-027215, X2609, B-4490, 4-(N-ETHYLSULPHAMOYL)BENZENEBORONIC ACID, I01-10619, C8H12BNO4S, 4- BENZENEBORONICACID, 4-(N-Ethylsulphonamido)benzeneboronic acid,

Complexity	280
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

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