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Home > Boronic Acids > 158937-24-7
158937-24-7 | Boronic acid, B-(4'-butoxy[1,1'-biphenyl]-4-yl)-
CAS No: 158937-24-7 Catalog No: AG001R16 MDL No:
Product Description
Catalog Number:
AG001R16
Chemical Name:
Boronic acid, B-(4'-butoxy[1,1'-biphenyl]-4-yl)-
CAS Number:
158937-24-7
Molecular Formula:
C16H19BO3
Molecular Weight:
270.1313
IUPAC Name:
[4-(4-butoxyphenyl)phenyl]boronic acid
InChI:
InChI=1S/C16H19BO3/c1-2-3-12-20-16-10-6-14(7-11-16)13-4-8-15(9-5-13)17(18)19/h4-11,18-19H,2-3,12H2,1H3
InChI Key:
FLHSCSJTCSAHDJ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)c1ccc(cc1)B(O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.143g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.135g/mol
Monoisotopic Mass:
270.143g/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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