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Home > Boronic Acids > 1072945-89-1
1072945-89-1 | 1-(4-FLUOROPHENYL)PYRAZOLE-4-BORONIC ACID
CAS No: 1072945-89-1 Catalog No: AG008525 MDL No:MFCD09972100
Product Description
Catalog Number:
AG008525
Chemical Name:
1-(4-FLUOROPHENYL)PYRAZOLE-4-BORONIC ACID
CAS Number:
1072945-89-1
Molecular Formula:
C9H8BFN2O2
Molecular Weight:
205.9814
MDL Number:
MFCD09972100
IUPAC Name:
[1-(4-fluorophenyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C9H8BFN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H
InChI Key:
RKNFXJIPDALCBH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1ncc(c1)B(O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.983g/mol
Monoisotopic Mass:
206.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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