5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-3-oxo-


Chemical Name: 5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-3-oxo-
CAS Number: 372941-48-5
Product Number: AG007A10(AGN-PC-02135R)
Synonyms:
MDL No:
Molecular Formula: C15H8FNO2
Molecular Weight: 253.2279

Identification/Properties


Computed Properties
Molecular Weight:
253.232g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
253.054g/mol
Monoisotopic Mass:
253.054g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
408
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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