AG003DZB

761446-45-1 | 1-Benzylpyrazole-4-boronic acid, pinacol ester

AG003DZB

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CAS Number	761446-45-1
Catalog Number	AG003DZB(AGN-PC-0U95KZ)
Chemical Name	1-Benzylpyrazole-4-boronic acid, pinacol ester
IUPAC Name	1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI	InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-18-19(12-14)11-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3
InChI Key	ZVPORPUUZXIPEF-UHFFFAOYSA-N
MDL Number	MFCD03789252
Molecular Formula	C16H21BN2O2
Molecular Weight	284.1611
SMILES	CC1(C)C(C)(C)OB(C2=CN(CC3=CC=CC=C3)N=C2)O1
Synonyms	761446-45-1, 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-(Phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester, 1-Benzylpyrazole-4-boronic acid pinacol ester, 1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole, 1-benzyl-1h-pyrazole-4-boronic acid, pinacol ester, 1-BENZYL-4-PYRAZOLEBORONIC ACID PINACOL ESTER, 1-benzyl-4-1h-pyrazoleboronic acid, pinacol ester, 1-benzyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, AC1Q2CSU, AC1Q2CSV, AC1MC1W8, SCHEMBL98814, AMTB073, 1-benzyl-1h-pyrazol-4-ylboronic acid, pinacol ester, CTK8B4627, DTXSID80370495, ZVPORPUUZXIPEF-UHFFFAOYSA-N, BM107, BCP22348, KS-00000AT3, ANW-45737, MFCD03789252, AKOS015950592, ZINC169743328, AB16116, AC-9173, AN-7307, AS-3002, BCP9000045, CB-3365, CS-W010030, RTR-024415, AK-38153, AM804330, BC000523, SC-26650, SY006076, 1-Benzyl-4-pyrazoleboronicAcidPinacolEster, BCP0726000025, AB0008812, AB1000673, 4CH-009008, B4364, FT-0644869, ST24026959, J3.652.743I, 1-Benzyl-4-pyrazole boronic acid pinacol ester, 1-Benzylpyrazole-4-boronic acid, pinacol ester, A22872, Q-7349, MFCD03789252 (97+%), 446B451, 1-Benzylpyrazole-4-boronic acid pinacol ester, 95%, J-504257, F2147-7153, 1-BENZYL-1H-PYRAZOLE-4-BORONIC ACID,PINACOL ESTER, 1-benzyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole, (1-BENZYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, 1-(phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole, 1-benzyl-4-(4,4,5,5-tetra methyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-Benzyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole, 1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole, 2-(1-Benzyl-1H-pyrazole-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-(1-Benzyl-4-pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, {[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}benzene, 1-Benzyl-4-pyrazole boronic acid pinacol ester; 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, C16H21BN2O2, ACN-032684, CID2734771, 1-Benzyl-1H-pyrazole-4-boronicacidpinacolester, 1-Benzylpyrazole-4-boronic acid pinacol ester, 97% - 1G 1g,

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.17g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.166g/mol
Monoisotopic Mass	284.17g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	36.3A^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-P305+P351+P338
UN Code

Certificate of Analysis

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