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Home > Boronic Acids > 1256358-53-8
1256358-53-8 | Boronic acid, B-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-
CAS No: 1256358-53-8 Catalog No: AG000O5T MDL No:MFCD12634060
Product Description
Catalog Number:
AG000O5T
Chemical Name:
Boronic acid, B-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-
CAS Number:
1256358-53-8
Molecular Formula:
C13H11BF2O3
Molecular Weight:
264.0324
MDL Number:
MFCD12634060
IUPAC Name:
[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BF2O3/c15-10-3-1-2-9(6-10)8-19-13-5-4-11(16)7-12(13)14(17)18/h1-7,17-18H,8H2
InChI Key:
LJXTUAJFEOPZEL-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)OCc1cccc(c1)F
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.035g/mol
Monoisotopic Mass:
264.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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