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Home > Boronic Acids > 121219-16-7
121219-16-7 | 2,3-Difluorophenylboronic acid
CAS No: 121219-16-7 Catalog No: AG003FIN MDL No:MFCD01863170
Product Description
Catalog Number:
AG003FIN
Chemical Name:
2,3-Difluorophenylboronic acid
CAS Number:
121219-16-7
Molecular Formula:
C6H5BF2O2
Molecular Weight:
157.9105
MDL Number:
MFCD01863170
IUPAC Name:
(2,3-difluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BF2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
InChI Key:
SZYXKFKWFYUOGZ-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1F)F)O
EC Number:
601-759-6
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.911g/mol
Monoisotopic Mass:
158.035g/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 |
|---|---|
| Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101 |
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