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Home > Boronic Acids > 480424-84-8
480424-84-8 | (2,3-Difluoro-4-formylphenyl);boronic acid
CAS No: 480424-84-8 Catalog No: AG003FI5 MDL No:MFCD04039907
Product Description
Catalog Number:
AG003FI5
Chemical Name:
(2,3-Difluoro-4-formylphenyl);boronic acid
CAS Number:
480424-84-8
Molecular Formula:
C7H5BF2O3
Molecular Weight:
185.9206
MDL Number:
MFCD04039907
IUPAC Name:
(2,3-difluoro-4-formylphenyl)boronic acid
InChI:
InChI=1S/C7H5BF2O3/c9-6-4(3-11)1-2-5(7(6)10)8(12)13/h1-3,12-13H
InChI Key:
LZNNBOWURANFDS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1F)F)B(O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.921g/mol
Monoisotopic Mass:
186.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 2,3-Difluoro-4-formylphenylboronic acid. | Acta crystallographica. Section C, Crystal structure communications 20070301 |
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