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Home > Boronic Acids > 1072944-31-0
1072944-31-0 | (4'-(Pentan-3-yloxy)-[1,1'-biphenyl]-4-yl)boronic acid
CAS No: 1072944-31-0 Catalog No: AG003KLB MDL No:
Product Description
Catalog Number:
AG003KLB
Chemical Name:
(4'-(Pentan-3-yloxy)-[1,1'-biphenyl]-4-yl)boronic acid
CAS Number:
1072944-31-0
Molecular Formula:
C17H21BO3
Molecular Weight:
284.1578
IUPAC Name:
[4-(4-pentan-3-yloxyphenyl)phenyl]boronic acid
InChI:
InChI=1S/C17H21BO3/c1-3-16(4-2)21-17-11-7-14(8-12-17)13-5-9-15(10-6-13)18(19)20/h5-12,16,19-20H,3-4H2,1-2H3
InChI Key:
BXIFXXIJBZDWRA-UHFFFAOYSA-N
SMILES:
CCC(Oc1ccc(cc1)c1ccc(cc1)B(O)O)CC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.162g/mol
Monoisotopic Mass:
284.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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