AG0032J7

1073372-04-9 | 1-(Phenylsulfonyl)pyrazole-4-boronic acid, pinacol ester

AG0032J7

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CAS Number	1073372-04-9
Catalog Number	AG0032J7(AGN-PC-078JTS)
Chemical Name	1-(Phenylsulfonyl)pyrazole-4-boronic acid, pinacol ester
IUPAC Name	1-(benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI	InChI=1S/C15H19BN2O4S/c1-14(2)15(3,4)22-16(21-14)12-10-17-18(11-12)23(19,20)13-8-6-5-7-9-13/h5-11H,1-4H3
InChI Key	NPRHNPBHUVCHKP-UHFFFAOYSA-N
MDL Number	MFCD09801236
Molecular Formula	C15H19BN2O4S
Molecular Weight	334.1984
SMILES	CC(C(C)(C)O1)(C)OB1C2=CN(S(=O)(C3=CC=CC=C3)=O)N=C2
Synonyms	1073372-04-9, 1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-(Phenylsulfonyl)pyrazole-4-boronic acid, pinacol ester, MFCD09037504, 1-Phenylsulfonyl-1H-pyrazole-4-boronic acid pinacol ester, 1-(Benzenesulfonyl)-1H-pyrazole-4-boronic acid pinacol ester, AK-38204, 1-BENZENESULFONYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE, 1-(Benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, PubChem18434, SCHEMBL1042874, CTK8B3154, KS-00000ODP, DTXSID00660648, NPRHNPBHUVCHKP-UHFFFAOYSA-N, ANW-41853, AKOS016002868, ZINC169745610, DS-2356, QC-4733, RTR-001789, TRA0084269, OR361535, AB0047127, AX8208756, TR-001789, 4CH-010094, ST24026961, Z3862, A-4856, A21892, J-001887, (1-(PHENYLSULFONYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, 1-(Benzenesulfonyl)-1H-pyrazole-4-boronic acid pinacol ester, AldrichCPR, 1-(benzenesulfonyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 1-(phenylsulfonyl)-1H-pyrazol-4-ylboronate, C15H19BN2O4S, 1H-Pyrazole, 1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,

Complexity	524
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.116g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	334.197g/mol
Monoisotopic Mass	334.116g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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