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Home > Boronic Acids > 1311166-12-7
1311166-12-7 | [5-fluoro-2-(2-phenylethoxy)phenyl]boronic acid
CAS No: 1311166-12-7 Catalog No: AG01AJMJ MDL No:MFCD12634059
Product Description
Catalog Number:
AG01AJMJ
Chemical Name:
[5-fluoro-2-(2-phenylethoxy)phenyl]boronic acid
CAS Number:
1311166-12-7
Molecular Formula:
C14H14BFO3
Molecular Weight:
260.0686
MDL Number:
MFCD12634059
IUPAC Name:
[5-fluoro-2-(2-phenylethoxy)phenyl]boronic acid
InChI:
InChI=1S/C14H14BFO3/c16-12-6-7-14(13(10-12)15(17)18)19-9-8-11-4-2-1-3-5-11/h1-7,10,17-18H,8-9H2
InChI Key:
UPUKFGZSYHLUCB-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)OCCc1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.071g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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