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Home > Boronic Acids > 1610705-51-5
1610705-51-5 | 2-Pyrimidinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1610705-51-5 Catalog No: AG001VMD MDL No:MFCD16618882
Product Description
Catalog Number:
AG001VMD
Chemical Name:
2-Pyrimidinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1610705-51-5
Molecular Formula:
C12H17BN2O4
Molecular Weight:
264.0854
MDL Number:
MFCD16618882
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
SMILES:
COC(=O)c1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
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
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