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Home > Boronic Acids > 871126-22-6
871126-22-6 | (2-Fluoro-4-formylphenyl);boronic acid
CAS No: 871126-22-6 Catalog No: AG004TYY MDL No:MFCD07367058
Product Description
Catalog Number:
AG004TYY
Chemical Name:
(2-Fluoro-4-formylphenyl);boronic acid
CAS Number:
871126-22-6
Molecular Formula:
C7H6BFO3
Molecular Weight:
167.9301
MDL Number:
MFCD07367058
IUPAC Name:
(2-fluoro-4-formylphenyl)boronic acid
InChI:
InChI=1S/C7H6BFO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4,11-12H
InChI Key:
OAEJODVYVOAOPH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)B(O)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.93g/mol
Monoisotopic Mass:
168.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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