AG0030W2

306935-93-3 | 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate

AG0030W2

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CAS Number	306935-93-3
Catalog Number	AG0030W2(AGN-PC-0R64DR)
Chemical Name	2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate
IUPAC Name	[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acid;hydrate
InChI	InChI=1S/C12H21BN2O4.H2O/c1-11(2,3)18-9-8(13(16)17)7-14-10(15-9)19-12(4,5)6;/h7,16-17H,1-6H3;1H2
InChI Key	WNNMPLYQLSDLPS-UHFFFAOYSA-N
MDL Number	MFCD02180675
Molecular Formula	C12H23BN2O5
Molecular Weight	286.1324
SMILES	N1C(OC(C)(C)C)=C(B(O)O)C=NC=1OC(C)(C)C.O
Synonyms	2,4-di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate, 306935-93-3, (2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid hydrate, ACMC-209hi4, AC1MC4H7, SCHEMBL3423431, C12H21BN2O4.H2O, CTK7I2646, DTXSID30371038, WNNMPLYQLSDLPS-UHFFFAOYSA-N, ZX-AT009212, ANW-26954, MFCD02180675, OR8072, SBB052587, [2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic Acid Hydrate, AKOS015892552, AN-33715, AB1006499, TC-115699, X0696, A-4907, A22930, I03-866, 2,6-Di-tert-butoxypyrimidine-5-boronic acid hydrate, (2,4-ditert-butoxypyrimidin-5-yl)boronic acid hydrate, 2,4-bis(tert-butoxy)pyrimidin-5-ylboronic acid hydrate, 2,4-di(tert-butoxy)pyrimidin-5-yl boronic acid hydrate, 2,4-di(tert-Butoxy)pyrimidin-5-ylboronic acid hydrate, AldrichCPR, Boronic acid, [2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-, monohydrate (9CI), null, ACN-032845, CID2735949, 2,4-ditert-butoxypyrimidin-5-ylboronic acid, 2,4-Ditert-butoxypyrimidine-5-boronic acid, 2,4-Di(tert-butoxy)pyrimidine-5-boronic acid, 2,4-di-tert-butoxypyrimidin-5-ylboronic acid, 109299-79-8,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.17g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	286.135g/mol
Monoisotopic Mass	286.17g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	85.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P260-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number