AG001VMD

1610705-51-5 | 2-Pyrimidinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

AG001VMD

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CAS Number	1610705-51-5
Catalog Number	AG001VMD(AGN-PC-0WNRS8)
Chemical Name	2-Pyrimidinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
IUPAC Name	methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate
InChI	InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-6-14-9(15-7-8)10(16)17-5/h6-7H,1-5H3
InChI Key	OMKFGJOPZQLNCN-UHFFFAOYSA-N
MDL Number	MFCD16618882
Molecular Formula	C12H17BN2O4
Molecular Weight	264.0854
SMILES	O=C(C1=NC=C(B2OC(C)(C)C(C)(C)O2)C=N1)OC
Synonyms	1610705-51-5, Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate, 2-(Methoxycarbonyl)pyrimidine-5-boronic Acid Pinacol Ester, (2-(Methoxycarbonyl)pyrimidin-5-yl)boronic acid pinacol ester, SCHEMBL15720308, KS-00000AVT, OMKFGJOPZQLNCN-UHFFFAOYSA-N, MFCD16618882, AKOS015941903, ZINC169747362, SB16030, AS-51093, SY039797, ST2407266, CS-0054482, MFCD16618882 (95%), 2-(Methoxycarbonyl)pyrimidine-5-boronicAcidPinacolEster, 2-Pyrimidinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.128g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.088g/mol
Monoisotopic Mass	264.128g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70.5A^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

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