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Home > Boronic Acids > 1256358-49-2
1256358-49-2 | Boronic acid, B-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-
CAS No: 1256358-49-2 Catalog No: AG000O5X MDL No:MFCD12634053
Product Description
Catalog Number:
AG000O5X
Chemical Name:
Boronic acid, B-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-
CAS Number:
1256358-49-2
Molecular Formula:
C14H14BFO3
Molecular Weight:
260.0686
MDL Number:
MFCD12634053
IUPAC Name:
[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boronic acid
InChI:
InChI=1S/C14H14BFO3/c1-10-2-7-14(13(8-10)15(17)18)19-9-11-3-5-12(16)6-4-11/h2-8,17-18H,9H2,1H3
InChI Key:
UKXCDUUQXMHAFL-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)COc1ccc(cc1B(O)O)C
Properties
Complexity:
269
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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