AG003BUC

913835-97-9 | 4-(N-Butyl-N-(4-methoxybenzyl)sulfamoyl)phenylboronic acid

AG003BUC

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	913835-97-9
Catalog Number	AG003BUC(AGN-PC-079T6N)
Chemical Name	4-(N-Butyl-N-(4-methoxybenzyl)sulfamoyl)phenylboronic acid
IUPAC Name	[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid
InChI	InChI=1S/C18H24BNO5S/c1-3-4-13-20(14-15-5-9-17(25-2)10-6-15)26(23,24)18-11-7-16(8-12-18)19(21)22/h5-12,21-22H,3-4,13-14H2,1-2H3
InChI Key	RODHNOCSWOOPDD-UHFFFAOYSA-N
MDL Number	MFCD09027227
Molecular Formula	C18H24BNO5S
Molecular Weight	377.2629
SMILES	B(c1ccc(cc1)S(=O)(=O)N(CCCC)Cc2ccc(cc2)OC)(O)O
Synonyms	913835-97-9, (4-(N-Butyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid, 4-(N-Butyl-N-(4-methoxybenzyl)sulfamoyl)phenylboronic acid, ACMC-209rai, CTK5G9466, DTXSID90661240, ANW-39640, AKOS015839762, ZINC169743932, RTR-028690, OR360067, AX8231232, TR-028690, ST24020517, V9038, B-5776, I01-11409, (4-(N-Butyl-N-(4-methoxybenzyl)-sulfamoyl)phenyl)boronic acid, (4-{Butyl[(4-methoxyphenyl)methyl]sulfamoyl}phenyl)boronic acid, C18H24BNO5S, (4-(N-Butyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronicacid,

Complexity	494
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	377.147g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	377.262g/mol
Monoisotopic Mass	377.147g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	95.4A^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