1-butyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile


Chemical Name: 1-butyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number: 1087634-93-2
Product Number: AG01AAGW(AG01AAGW)
Synonyms:
MDL No:
Molecular Formula: C17H15FN2O3
Molecular Weight: 314.3110

Identification/Properties


Computed Properties
Molecular Weight:
314.316g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
314.107g/mol
Monoisotopic Mass:
314.107g/mol
Topological Polar Surface Area:
81.4A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
602
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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