AG00D8FE

486422-59-7 | 4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID

AG00D8FE

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CAS Number	486422-59-7
Catalog Number	AG00D8FE(AGN-PC-07137A)
Chemical Name	4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID
IUPAC Name	[4-(dimethylsulfamoyl)phenyl]boronic acid
InChI	InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3
InChI Key	VVUGXBSXXJTVDS-UHFFFAOYSA-N
MDL Number	MFCD06659849
Molecular Formula	C8H12BNO4S
Molecular Weight	229.0612
SMILES	OB(C1=CC=C(S(=O)(N(C)C)=O)C=C1)O
Synonyms	486422-59-7, 4-(N,N-Dimethylsulfamoyl)phenylboronic acid, 4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID, N,N-DIMETHYL 4-BORONOBENZENESULFONAMIDE, [4-(dimethylsulfamoyl)phenyl]boronic acid, (4-(N,N-dimethylsulfamoyl)phenyl)boronic acid, MFCD06659849, 4-(dimethylsulfamoyl)phenylboronic acid, n,n-dimethyl-4-boronobenzenesulfonamide, 4-Borono-N,N-dimethylbenzenesulphonamide, AK-42196, 4-(N,N-DIMETHYLSULFONAMIDOPHENYL)BORONIC ACID, Boronic acid, [4-[(dimethylamino)sulfonyl]phenyl]-, {4-[(dimethylamino)sulfonyl]phenyl}boronic acid, (4-[(DIMETHYLAMINO)SULFONYL]PHENYL)BORONIC ACID, N, N-dimethyl-3-boronobenzenesulfonamide, ACMC-209kdn, SCHEMBL136281, CTK4J0923, KS-00000OGM, DTXSID70657141, SYNQUEST 8669-1-Y8, VVUGXBSXXJTVDS-UHFFFAOYSA-N, BCP15564, ZX-AT001346, ZX-CM007250, ANW-30681, OR3969, AKOS006220975, N,N-dimethyl4-boronobenzenesulfonamide, ZINC169745627, AB26467, ACN-029941, CD-1881, PS-9550, RTR-017718, 4-dimethylaminosulphonylphenylboronic acid, NCGC00249567-01, 4-N,N-Dimethylsulfamoylphenylboronic acid, ACM486422597, AM806850, AN-28041, BC001368, BP-13384, SY026645, AX8209543, DB-013316, TR-017718, 4CH-010172, FT-0083819, FT-0660078, ST24028817, X0860, 4-(N,N-dimethyl-sulfamoyl)phenylboronic acid, 4-[(dimethylamino)sulfonyl]phenylboronic acid, MFCD06659849 (95%), 4-(n,n-dimethylaminosulfonyl)phenylboronic acid, B-3598, A827576, Boronic acid,B-[4-[(dimethylamino)sulfonyl]phenyl]-, F0001-1275, B-[4-[(DIMETHYLAMINO)SULFONYL]PHENYL]-BORONIC ACID, BORONIC ACID, B-[4-[(DIMETHYLAMINO)SULFONYL]PHENYL]-, C8H12BNO4S, 4- BENZENEBORONICACID, 4-(Dimethylsulfamoyl)benzeneboronic acid, 4-(N,N-Dimethylsulfamoyl)phenylboronicacid,

Complexity	290
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	2
Isotope Atom Count	0
Molecular Weight	229.057g/mol
Monoisotopic Mass	229.058g/mol
Rotatable Bond Count	3
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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