AG004TQ3

827614-66-4 | 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

AG004TQ3

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CAS Number	827614-66-4
Catalog Number	AG004TQ3(AGN-PC-0KKN6Q)
Chemical Name	1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC Name	1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI	InChI=1S/C13H23BN2O2/c1-10(2)8-16-9-11(7-15-16)14-17-12(3,4)13(5,6)18-14/h7,9-10H,8H2,1-6H3
InChI Key	YMEBZRNYQBODKB-UHFFFAOYSA-N
MDL Number	MFCD05663857
Molecular Formula	C13H23BN2O2
Molecular Weight	250.1449
SMILES	CC(C)CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1
Synonyms	827614-66-4, 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-Isobutylpyrazole-4-boronic acid pinacol ester, 1-(2-Methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-(2-methylpropyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-Isobutyl-pyrazole-4-boronic acid pinacol ester, 1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole, 1-Isobutyl-1H-pyrazole-4-boronic acid pinacol ester, 1-isobutyl-1h-pyrazole-4-boronic acid, pinacol ester, (1-ISOBUTYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, 1-Isobutyl-1H-pyrazole-4-boronic acid pinacol ester, 97%, 1-isobutyl-4-(4, AC1MC0AV, SCHEMBL1429189, CTK5F0041, DTXSID00374778, YMEBZRNYQBODKB-UHFFFAOYSA-N, BM252, 2-dioxaborolan-2-yl)-1h-pyrazole, CS-D0399, KS-000008FJ, ANW-59749, CI-475, MFCD05663857, AKOS005256162, ZINC169743533, ACN-055510, PB27691, QC-4905, RTR-025855, AS-42130, BC000544, AB0031693, ST24038047, X4868, Q-1075, A840433, I04-8715, 1-Isobutylpyrazole-4-boronic acid pinacol ester, 95%, 1-ISOBUTYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER, F2147-6930, n-isobutyltetrahydrothiophene-3-amine-1,1-dioxidehydrochloride, 1 - Isobutyl - 1H - pyrazole - 4 - boronic acid pinacol ester, 1-iso-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-isobutyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1h-pyrazole, 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole, 1H-Pyrazole,1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1H-PYRAZOLE, 1-(2-METHYLPROPYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, C13H23BN2O2, 1-ISOBUTYL-4- -1H-PYRAZOLE, CID2759392,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.185g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.149g/mol
Monoisotopic Mass	250.185g/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	3
Hazard statements	H226-H315-H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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