AG0036FT

850568-74-0 | 3-Boronobenzenesulfonamide

AG0036FT

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CAS Number	850568-74-0
Catalog Number	AG0036FT(AGN-PC-071375)
Chemical Name	3-Boronobenzenesulfonamide
IUPAC Name	(3-sulfamoylphenyl)boronic acid
InChI	InChI=1S/C6H8BNO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,(H2,8,11,12)
InChI Key	PMNJSWJJYWZLHU-UHFFFAOYSA-N
MDL Number	MFCD06659840
Molecular Formula	C6H8BNO4S
Molecular Weight	201.0080
SMILES	B(O)(O)C=1C=C(C=CC1)S(=O)(=O)N
Synonyms	850568-74-0, 3-Boronobenzenesulfonamide, 3-(Aminosulphonyl)benzeneboronic acid, (3-sulfamoylphenyl)boronic acid, 3-sulfamoylphenylboronic acid, (3-Aminosulphonyl)benzeneboronic acid, MFCD06659840, Boronic acid B-3-(aminosulfony)pheny, Boronic acid, [3-(aminosulfonyl)phenyl]-, [3-Sulfamoylphenyl]boronic acid, 3-Boronobenzenesulphonamide, ACMC-209q2m, SCHEMBL585145, 3-Sulfamoyl-benzeneboronic acid, CTK5F3986, DTXSID20657136, PMNJSWJJYWZLHU-UHFFFAOYSA-N, ACT11302, ZX-AT000074, ANW-38060, EBD211852, OR3945, [3-(aminosulfonyl)phenyl]boronic acid, 3-boronobenzenesulfonamide, AldrichCPR, AKOS015833680, ZINC169745448, AB26449, FCH1323696, RP25818, RTR-026534, BC001313, (3-AMINOSULFONYLPHENYL)BORONIC ACID, Boronicacid,B-[3-(aminosulfonyl)phenyl]-, AX8044986, Boronic acid,B-[3-(aminosulfonyl)phenyl]-, DB-015895, TR-026534, 4CH-003186, FT-0699057, X2446, A-3872, J-510791, I01-10625, BENZENEBORONICACID, C6H8BNO4S, 2-Methoxy-3-methylbenzenemethanamine,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.027g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	201.003g/mol
Monoisotopic Mass	201.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	109A^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-P305+P351+P338
UN Code

Certificate of Analysis

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