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Home > Boronic Acids > 1366482-40-7
1366482-40-7 | Boronic acid, B-(5,6-difluoro-3-pyridinyl)-
CAS No: 1366482-40-7 Catalog No: AG001269 MDL No:MFCD21609554
Product Description
Catalog Number:
AG001269
Chemical Name:
Boronic acid, B-(5,6-difluoro-3-pyridinyl)-
CAS Number:
1366482-40-7
Molecular Formula:
C5H4BF2NO2
Molecular Weight:
158.8986
MDL Number:
MFCD21609554
IUPAC Name:
(5,6-difluoropyridin-3-yl)boronic acid
InChI:
InChI=1S/C5H4BF2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H
InChI Key:
DMQCLRPLFKDGQN-UHFFFAOYSA-N
SMILES:
OB(c1cnc(c(c1)F)F)O
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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