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Home > Boronic Acids > 1993-03-9
1993-03-9 | Boronic acid, B-(2-fluorophenyl)-
CAS No: 1993-03-9 Catalog No: AG002C1V MDL No:MFCD00674013
Product Description
Catalog Number:
AG002C1V
Chemical Name:
Boronic acid, B-(2-fluorophenyl)-
CAS Number:
1993-03-9
Molecular Formula:
C6H6BFO2
Molecular Weight:
139.9200
MDL Number:
MFCD00674013
IUPAC Name:
(2-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H6BFO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
InChI Key:
QCSLIRFWJPOENV-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1F)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.92g/mol
Monoisotopic Mass:
140.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. | Journal of medicinal chemistry 20081127 |
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