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Home > Fluorides > 1256788-17-6
1256788-17-6 | Ethanone, 1-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl)-
CAS No: 1256788-17-6 Catalog No: AG000OCJ MDL No:MFCD18261246
Product Description
Catalog Number:
AG000OCJ
Chemical Name:
Ethanone, 1-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl)-
CAS Number:
1256788-17-6
Molecular Formula:
C8H6FN3O
Molecular Weight:
179.1511
MDL Number:
MFCD18261246
IUPAC Name:
1-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
InChI:
InChI=1S/C8H6FN3O/c1-4(13)7-6-2-5(9)3-10-8(6)12-11-7/h2-3H,1H3,(H,10,11,12)
InChI Key:
XUXVBJMPKXQMGS-UHFFFAOYSA-N
SMILES:
Fc1cnc2c(c1)c(n[nH]2)C(=O)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.154g/mol
Monoisotopic Mass:
179.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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