3-cyano-2-fluorobenzoic acid


Chemical Name: 3-cyano-2-fluorobenzoic acid
CAS Number: 219519-77-4
Product Number: AG00BHQD(AGN-PC-043D5D)
Synonyms:
MDL No:
Molecular Formula: C8H4FNO2
Molecular Weight: 165.1213

Identification/Properties


Computed Properties
Molecular Weight:
165.123g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
165.023g/mol
Monoisotopic Mass:
165.023g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
233
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


NMR Spectrum


Other Analytical Data


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