Benzoic acid, 4-[(cyanomethyl)sulfonyl]-


Chemical Name: Benzoic acid, 4-[(cyanomethyl)sulfonyl]-
CAS Number: 797035-88-2
Product Number: AG019WOI(AGN-PC-04PSAV)
Synonyms:
MDL No:
Molecular Formula: C9H7NO4S
Molecular Weight: 225.2212

Identification/Properties


Computed Properties
Molecular Weight:
225.218g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
225.01g/mol
Monoisotopic Mass:
225.01g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
378
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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