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Home > Boronic Acids > 1147105-68-7
1147105-68-7 | 2-Ethoxy-pyrimidine-5-boronic acid pinacol ester
CAS No: 1147105-68-7 Catalog No: AG0092FR MDL No:MFCD09027075
Product Description
Catalog Number:
AG0092FR
Chemical Name:
2-Ethoxy-pyrimidine-5-boronic acid pinacol ester
CAS Number:
1147105-68-7
Molecular Formula:
C14H21BO3
Molecular Weight:
248.1257
MDL Number:
MFCD09027075
IUPAC Name:
2-(4-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H21BO3/c1-6-16-12-9-7-11(8-10-12)15-17-13(2,3)14(4,5)18-15/h7-10H,6H2,1-5H3
InChI Key:
YEUFTLGWZJBVII-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.129g/mol
Monoisotopic Mass:
248.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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