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Home > Boronic Acids > 1141886-36-3
1141886-36-3 | Boronic acid, B-(5-fluoro-1,6-dihydro-6-oxo-3-pyridinyl)-
CAS No: 1141886-36-3 Catalog No: AG000AR0 MDL No:MFCD12964544
Product Description
Catalog Number:
AG000AR0
Chemical Name:
Boronic acid, B-(5-fluoro-1,6-dihydro-6-oxo-3-pyridinyl)-
CAS Number:
1141886-36-3
Molecular Formula:
C5H5BFNO3
Molecular Weight:
156.9075
MDL Number:
MFCD12964544
IUPAC Name:
(5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid
InChI:
InChI=1S/C5H5BFNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2,10-11H,(H,8,9)
InChI Key:
RNRSXDBJJSBHFY-UHFFFAOYSA-N
SMILES:
OB(c1c[nH]c(=O)c(c1)F)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
156.907g/mol
Monoisotopic Mass:
157.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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