AG004OT7

871329-77-0 | (3-(N-Isopropylsulfamoyl)Phenyl)Boronic Acid

AG004OT7

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CAS Number	871329-77-0
Catalog Number	AG004OT7(AGN-PC-079T5U)
Chemical Name	(3-(N-Isopropylsulfamoyl)Phenyl)Boronic Acid
IUPAC Name	[3-(propan-2-ylsulfamoyl)phenyl]boronic acid
InChI	InChI=1S/C9H14BNO4S/c1-7(2)11-16(14,15)9-5-3-4-8(6-9)10(12)13/h3-7,11-13H,1-2H3
InChI Key	KCJMBNYQVZPTRG-UHFFFAOYSA-N
MDL Number	MFCD07783856
Molecular Formula	C9H14BNO4S
Molecular Weight	243.0878
SMILES	C(C)(C)NS(=O)(=O)C=1C=C(C=CC1)B(O)O
Synonyms	871329-77-0, N-ISOPROPYL 3-BORONOBENZENESULFONAMIDE, (3-(N-Isopropylsulfamoyl)phenyl)boronic acid, 3-(IsopropylsulfaMoyl)benzeneboronic acid, 3-(Isopropylaminosulfonyl)phenylboronic acid, MFCD07783856, 3-(N-Isopropylsulfamoyl)phenylboronic acid, {3-[(Propan-2-yl)sulfamoyl]phenyl}boronic acid, ACMC-209qgk, SCHEMBL532021, CTK5F7926, DTXSID00661211, ANW-38562, AKOS015833704, ZINC169745756, RTR-027227, OR361306, TR-027227, X2620, A26771, B-4637, I01-10630, Boronic acid,B-[3-[[(1-methylethyl)amino]sulfonyl]phenyl]-, 3- phenylboronicacid, C9H14BNO4S,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	243.084g/mol
Monoisotopic Mass	243.074g/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	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	UN 2811

Certificate of Analysis

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