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Home > Boronic Acids > 939054-46-3
939054-46-3 | (5-Butoxybenzofuran-2-yl)boronic acid
CAS No: 939054-46-3 Catalog No: AG01EZEJ MDL No:
Product Description
Catalog Number:
AG01EZEJ
Chemical Name:
(5-Butoxybenzofuran-2-yl)boronic acid
CAS Number:
939054-46-3
Molecular Formula:
C12H15BO4
Molecular Weight:
234.0561
IUPAC Name:
(5-butoxy-1-benzofuran-2-yl)boronic acid
InChI:
InChI=1S/C12H15BO4/c1-2-3-6-16-10-4-5-11-9(7-10)8-12(17-11)13(14)15/h4-5,7-8,14-15H,2-3,6H2,1H3
InChI Key:
OCAUYIYFGYYRER-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(c1)cc(o2)B(O)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.058g/mol
Monoisotopic Mass:
234.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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