5-(4-cyanophenyl)-2-fluorobenzoic acid


Chemical Name: 5-(4-cyanophenyl)-2-fluorobenzoic acid
CAS Number: 1261977-82-5
Product Number: AG000SB0(AGN-PC-09NZH0)
Synonyms:
MDL No:
Molecular Formula: C14H8FNO2
Molecular Weight: 241.2172

Identification/Properties


Computed Properties
Molecular Weight:
241.221g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
241.054g/mol
Monoisotopic Mass:
241.054g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
354
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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