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Home > Boronic Acids > 1253569-51-5
1253569-51-5 | 2-Fluoro-5-(trifluoromethyl)pyridine-3-boronic acid
CAS No: 1253569-51-5 Catalog No: AG00HI6B MDL No:MFCD16140228
Product Description
Catalog Number:
AG00HI6B
Chemical Name:
2-Fluoro-5-(trifluoromethyl)pyridine-3-boronic acid
CAS Number:
1253569-51-5
Molecular Formula:
C6H4BF4NO2
Molecular Weight:
208.9061
MDL Number:
MFCD16140228
IUPAC Name:
[2-fluoro-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C6H4BF4NO2/c8-5-4(7(13)14)1-3(2-12-5)6(9,10)11/h1-2,13-14H
InChI Key:
PVDFJVJLKFKDGJ-UHFFFAOYSA-N
SMILES:
OB(c1cc(cnc1F)C(F)(F)F)O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.027g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.907g/mol
Monoisotopic Mass:
209.027g/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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