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Home > Boronic Acids > 1402240-42-9
1402240-42-9 | 2-(4-MethyliMidazol-1-yl)pyriMidine-5-boronic acid, pinacol ester
CAS No: 1402240-42-9 Catalog No: AG009WV4 MDL No:MFCD16618881
Product Description
Catalog Number:
AG009WV4
Chemical Name:
2-(4-MethyliMidazol-1-yl)pyriMidine-5-boronic acid, pinacol ester
CAS Number:
1402240-42-9
Molecular Formula:
C14H19BN4O2
Molecular Weight:
286.1373
MDL Number:
MFCD16618881
IUPAC Name:
2-(4-methylimidazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
InChI:
InChI=1S/C14H19BN4O2/c1-10-8-19(9-18-10)12-16-6-11(7-17-12)15-20-13(2,3)14(4,5)21-15/h6-9H,1-5H3
InChI Key:
KTJPJCJXCLRXJL-UHFFFAOYSA-N
SMILES:
Cc1ncn(c1)c1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.16g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.142g/mol
Monoisotopic Mass:
286.16g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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