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Home > Fluorides > 1190322-03-2
1190322-03-2 | 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 5-fluoro-2,3-dihydro-2-oxo-
CAS No: 1190322-03-2 Catalog No: AG000I07 MDL No:
Product Description
Catalog Number:
AG000I07
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 5-fluoro-2,3-dihydro-2-oxo-
CAS Number:
1190322-03-2
Molecular Formula:
C8H4FN3O
Molecular Weight:
177.1353
IUPAC Name:
5-fluoro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C8H4FN3O/c9-5-1-4-2-7(13)12-8(4)11-6(5)3-10/h1H,2H2,(H,11,12,13)
InChI Key:
MHJDXNQYBWRYSV-UHFFFAOYSA-N
SMILES:
N#Cc1nc2NC(=O)Cc2cc1F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.138g/mol
Monoisotopic Mass:
177.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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