AG003BU7

957060-91-2 | 4-(N-(4-Methoxybenzyl)sulfamoyl)phenylboronic acid

AG003BU7

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CAS Number	957060-91-2
Catalog Number	AG003BU7(AGN-PC-07133P)
Chemical Name	4-(N-(4-Methoxybenzyl)sulfamoyl)phenylboronic acid
IUPAC Name	[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]boronic acid
InChI	InChI=1S/C14H16BNO5S/c1-21-13-6-2-11(3-7-13)10-16-22(19,20)14-8-4-12(5-9-14)15(17)18/h2-9,16-18H,10H2,1H3
InChI Key	AWIGPKIEHWXBDW-UHFFFAOYSA-N
MDL Number	MFCD09027228
Molecular Formula	C14H16BNO5S
Molecular Weight	321.1565
SMILES	O=S(C1=CC=C(B(O)O)C=C1)(NCC2=CC=C(OC)C=C2)=O
Synonyms	957060-91-2, (4-(N-(4-Methoxybenzyl)sulfamoyl)phenyl)boronic acid, 4-(N-(4-Methoxybenzyl)sulfamoyl)phenylboronic acid, (4-{[(4-Methoxyphenyl)methyl]sulfamoyl}phenyl)boronic acid, N-4-methoxybenzyl 4-boronobenzenesulfonamide, ACMC-209s1b, SCHEMBL12030446, CTK5H8003, DTXSID70657080, AWIGPKIEHWXBDW-UHFFFAOYSA-N, ZX-AT011982, ANW-40605, MFCD09027228, OR3488, AKOS015852037, ZINC169745644, RTR-029892, AS-55259, AX8239978, TR-029892, N-4-Methoxybenzyl-4-boronobenzenesulphonamide, B-4607, 4-[(4-Methoxybenzyl)sulphamoyl]benzeneboronic acid, J-513530, I01-11580, (4-(N-(4-Methoxybenzyl)sulfamoyl)-phenyl)boronic acid, 4-{[(4-methoxyphenyl)methyl]sulfamoyl}phenylboronic acid, 4-(4-Methoxybenzylcarbamoyl)phenylboronic acid, (4-(N-(4-Methoxybenzyl)sulfamoyl)phenyl)boronicacid,

Complexity	423
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.084g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	321.154g/mol
Monoisotopic Mass	321.084g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	104A^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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