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Home > Boronic Acids > 872041-95-7
872041-95-7 | (2,5-Difluoropyridin-3-yl);boronic acid
CAS No: 872041-95-7 Catalog No: AG004JY9 MDL No:MFCD11040274
Product Description
Catalog Number:
AG004JY9
Chemical Name:
(2,5-Difluoropyridin-3-yl);boronic acid
CAS Number:
872041-95-7
Molecular Formula:
C5H4BF2NO2
Molecular Weight:
158.8986
MDL Number:
MFCD11040274
IUPAC Name:
(2,5-difluoropyridin-3-yl)boronic acid
InChI:
InChI=1S/C5H4BF2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H
InChI Key:
FJBXMHAWGCNDTB-UHFFFAOYSA-N
SMILES:
Fc1cnc(c(c1)B(O)O)F
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.899g/mol
Monoisotopic Mass:
159.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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