AG000XJK

1279088-80-0 | 1-(oxan-2-yl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

AG000XJK

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CAS Number	1279088-80-0
Catalog Number	AG000XJK(AGN-PC-0WNH3E)
Chemical Name	1-(oxan-2-yl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
IUPAC Name	1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI	InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-8-9-17(16-11)12-7-5-6-10-18-12/h8-9,12H,5-7,10H2,1-4H3
InChI Key	PJRWOBTYGKIHPV-UHFFFAOYSA-N
MDL Number	MFCD22189465
Molecular Formula	C14H23BN2O3
Molecular Weight	278.1550
SMILES	CC1(C)OB(OC1(C)C)C1=NN(C=C1)C1CCCCO1
Synonyms	1279088-80-0, 1-(Tetrahydro-2H-pyran-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, (1-(Tetrahydro-2H-pyran-2-yl)-1h-pyrazol-3-yl)boronic acid pinacol ester, 1H-Pyrazole, 1-(tetrahydro-2H-pyran-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, SCHEMBL1534508, DTXSID60725904, PJRWOBTYGKIHPV-UHFFFAOYSA-N, MFCD22189465, AKOS030628528, KS-0000086G, AS-52939, CS-0052791, D-1433, 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-3-boronic acid pinacol ester, 1-(Oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.18g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	278.159g/mol
Monoisotopic Mass	278.18g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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