AG004SI2

850568-39-7 | (3-(Methylsulfonamidomethyl)phenyl)boronic acid

AG004SI2

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CAS Number	850568-39-7
Catalog Number	AG004SI2(AGN-PC-03NS0H)
Chemical Name	(3-(Methylsulfonamidomethyl)phenyl)boronic acid
IUPAC Name	[3-(methanesulfonamidomethyl)phenyl]boronic acid
InChI	InChI=1S/C8H12BNO4S/c1-15(13,14)10-6-7-3-2-4-8(5-7)9(11)12/h2-5,10-12H,6H2,1H3
InChI Key	FJSWJJOLFPIDER-UHFFFAOYSA-N
MDL Number	MFCD06659817
Molecular Formula	C8H12BNO4S
Molecular Weight	229.0612
SMILES	O=S(NCC1=CC(B(O)O)=CC=C1)(C)=O
Synonyms	850568-39-7, (3-(Methylsulfonamidomethyl)phenyl)boronic acid, (3-METHANESULFONYLAMINOMETHYLPHENYL)BORONIC ACID, 3-[(Methylsulphonylamino)methyl]benzeneboronic acid, 3-(methylsulfonamidomethyl)phenylboronic acid, (3-Methanesulfonylaminomethyl)phenylboronic acid, MFCD06659817, 3-METHANESULFONAMIDOMETHYLPHENYLBORONIC ACID, SCHEMBL532278, (3-METHANESULFONYLAMINOMETHYL)BENZENEBORONIC ACID, CTK8B3983, DTXSID20624585, FJSWJJOLFPIDER-UHFFFAOYSA-N, WT824, ZX-AT000635, ANW-43599, OR1323, AKOS015893656, ZINC169744866, AB26386, PS-9647, RTR-026501, VB10456, CC-00570, AX8010690, DB-015870, TR-026501, FT-0644936, ST24026207, X5511, 3-(methanesulfonamidomethyl)phenylboronic acid, [3-(methanesulfonamidomethyl)phenyl]boronic acid, [3-(methylsulfonylaminomethyl)phenyl]boronic acid, 3-((methylsulfonylamino)methyl)phenylboronic acid, 3-methanesulphonylaminomethyl benzeneboronic acid, 3-methanesulphonylamino methyl benzeneboronic acid, A841115, C-13178, I04-6795, (3-{[(Methanesulfonyl)amino]methyl}phenyl)boronic acid, (3-METHYLSULFONYLAMINOMETHYL)BENZENEBORONIC ACID, (3-methanesulfonylaminomethylphenyl)boronic acid, AldrichCPR, 850568-39-7 3-(methylsulfonamidomethyl)phenylboronic acid, Boronic acid,B-[3-[[(methylsulfonyl)amino]methyl]phenyl]-, C8H12BNO4S, ACN-042898, (3-(Methylsulfonamidomethyl)phenyl)boronicacid, B-4162,

Complexity	288
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	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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