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Home > Boronic Acids > 1072945-71-1
1072945-71-1 | (3-Fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl);phenyl);boronic acid
CAS No: 1072945-71-1 Catalog No: AG007WOQ MDL No:MFCD09972094
Product Description
Catalog Number:
AG007WOQ
Chemical Name:
(3-Fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl);phenyl);boronic acid
CAS Number:
1072945-71-1
Molecular Formula:
C9H8BFN2O3
Molecular Weight:
221.9808
MDL Number:
MFCD09972094
IUPAC Name:
[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C9H8BFN2O3/c1-5-12-13-9(16-5)7-3-2-6(10(14)15)4-8(7)11/h2-4,14-15H,1H3
InChI Key:
JFDXQWDZYOMAMU-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)c1ccc(cc1F)B(O)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.982g/mol
Monoisotopic Mass:
222.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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