2-Fluoro-5-methanesulfonyl benzoic acid


Chemical Name: 2-Fluoro-5-methanesulfonyl benzoic acid
CAS Number: 247569-56-8
Product Number: AG002PBX(AGN-PC-0WAL0Z)
Synonyms:
MDL No:
Molecular Formula: C8H7FO4S
Molecular Weight: 218.2022

Identification/Properties


Computed Properties
Molecular Weight:
218.198g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
218.005g/mol
Monoisotopic Mass:
218.005g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
319
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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