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Home > Fluorides > 1256835-84-3
1256835-84-3 | Ethanone, 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CAS No: 1256835-84-3 Catalog No: AG000OHE MDL No:
Product Description
Catalog Number:
AG000OHE
Chemical Name:
Ethanone, 1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CAS Number:
1256835-84-3
Molecular Formula:
C9H7FN2O
Molecular Weight:
178.1631
IUPAC Name:
1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
InChI:
InChI=1S/C9H7FN2O/c1-5(13)8-4-12-9-7(8)2-6(10)3-11-9/h2-4H,1H3,(H,11,12)
InChI Key:
CQZRZPRRAKTGQG-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c2c1cc(F)cn2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.166g/mol
Monoisotopic Mass:
178.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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