AG003BL1

109299-79-8 | (2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid

AG003BL1

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CAS Number	109299-79-8
Catalog Number	AG003BL1(AGN-PC-0KK7GS)
Chemical Name	(2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid
IUPAC Name	[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acid
InChI	InChI=1S/C12H21BN2O4/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
InChI Key	SOJAZSRAXNFWRH-UHFFFAOYSA-N
MDL Number	MFCD01318980
Molecular Formula	C12H21BN2O4
Molecular Weight	268.1171
SMILES	CC(C)(C)OC1=NC(OC(C)(C)C)=C(C=N1)B(O)O
Synonyms	109299-79-8, (2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid, 2,4-Di(tert-butoxy)pyrimidine-5-boronic acid, 2,4-ditert-butoxypyrimidin-5-ylboronic acid, 306935-93-3, 2,4-Di-tert-butoxypyrimidine-5-boronic acid, 2,4-Ditert-butoxypyrimidine-5-boronic acid, AF-399/25030004, 2,4-di-tert-butoxypyrimidin-5-ylboronic acid, Boronic acid,B-[2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-, AC1MC4HA, ACMC-1ADJ6, SCHEMBL561353, C12H21BN2O4, CTK4A6420, DTXSID90371039, SOJAZSRAXNFWRH-UHFFFAOYSA-N, ABBYPHARMA AP-13-1103, [2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acid, ZX-AL001204, ANW-16029, MFCD01318980, AKOS000320209, ZINC169747857, AB08792, CD-1120, LS11129, MCULE-2233430258, RTR-002042, VZ22668, 2,4-Ditertbutoxypyrimidin-5-ylboronicacid, ACM306935933, BC000966, AB0029177, AX8030141, DB-010311, RT-018488, TR-002042, FT-0605405, FT-0609958, ST24033718, X1317, 2,4-Di-tert-butoxy-pyrimidine-5-boronic acid, C-1315, Z-2537, 2,4-bis(tert-butoxy)pyrimidin-5-ylboronic acid, 2,6-DI-TERT-BUTOXYPYRIMIDINE-5-BORONIC ACID, Dihydroxy(2,4-di-tert-butoxypyrimidine-5-yl)borane, I03-0109, J-018067, 2,4-Di(tert -butoxy)pyrimidin-5-ylboronic acid hydrate, 2,4-ditert-butoxypyrimidin-5-ylboronic acid, AldrichCPR, (2,4-DI-TERT-BUTYLOXYPYRIMIDIN-5-YL)BORONIC ACID, ACN-034204, CID2735950, (2,4-Di-tert-butoxypyrimidin-5-yl)boronicacid,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.159g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	268.12g/mol
Monoisotopic Mass	268.159g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	84.7A^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	P261-P305+P351+P338
UN Code

Certificate of Analysis

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