AG00DC4X

486422-04-2 | 4-(N,N-Dimethylaminosulfonyl)phenylboronic acid pinacol ester

AG00DC4X

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CAS Number	486422-04-2
Catalog Number	AG00DC4X(AGN-PC-0L1AUF)
Chemical Name	4-(N,N-Dimethylaminosulfonyl)phenylboronic acid pinacol ester
IUPAC Name	N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
InChI	InChI=1S/C14H22BNO4S/c1-13(2)14(3,4)20-15(19-13)11-7-9-12(10-8-11)21(17,18)16(5)6/h7-10H,1-6H3
InChI Key	CTBRPVYZBIZUDQ-UHFFFAOYSA-N
MDL Number	MFCD03425962
Molecular Formula	C14H22BNO4S
Molecular Weight	311.2048
SMILES	O=S(C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)(N(C)C)=O
Synonyms	486422-04-2, 4-(N,N-DIMETHYLAMINOSULFONYL)PHENYLBORONIC ACID PINACOL ESTER, N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide, N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide, AC1MZ87H, SCHEMBL183232, CTK8B3391, DTXSID50397619, CTBRPVYZBIZUDQ-UHFFFAOYSA-N, STR09906, ZX-AT000774, ANW-42453, MFCD03425962, OR2769, AKOS022182191, ZINC169811108, AB14727, RTR-017712, KS-000019E7, TR-017712, CS-0046873, B-3585, 4-(N,N-Dimethylaminosulfonyl)phenylboronic acid, pinacol ester, 4-(N,N-Dimethylaminosulphonyl)benzeneboronic acid pinacol ester, (4-(N,N-DIMETHYLSULFAMOYL)PHENYL)BORONIC ACID PINACOL ESTER, N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide, N,N -Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide, N,N-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonamide, N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-sulfonamide, N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulphonamide, 4- phenylboronicacidpinacolester, CID3868489, 4,4,5,5-Tetramethyl-2-(4-(dimethylsulfamoyl)phenyl)-1,3,2-dioxaborolane,

Complexity	460
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.136g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	311.203g/mol
Monoisotopic Mass	311.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code

Certificate of Analysis

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