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Home > Boronic Acids > 1217500-95-2
1217500-95-2 | Boronic acid, B-[3-fluoro-5-(4-morpholinyl)phenyl]-
CAS No: 1217500-95-2 Catalog No: AG0015RT MDL No:MFCD12546541
Product Description
Catalog Number:
AG0015RT
Chemical Name:
Boronic acid, B-[3-fluoro-5-(4-morpholinyl)phenyl]-
CAS Number:
1217500-95-2
Molecular Formula:
C10H13BFNO3
Molecular Weight:
225.0245
MDL Number:
MFCD12546541
IUPAC Name:
(3-fluoro-5-morpholin-4-ylphenyl)boronic acid
InChI:
InChI=1S/C10H13BFNO3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7,14-15H,1-4H2
InChI Key:
LZZMZSFQBPERPZ-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)B(O)O)N1CCOCC1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.026g/mol
Monoisotopic Mass:
225.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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