Benzoic acid, 3-[[(1,1-dimethylethyl)amino]sulfonyl]-


Chemical Name: Benzoic acid, 3-[[(1,1-dimethylethyl)amino]sulfonyl]-
CAS Number: 222409-98-5
Product Number: AG00BIFT(AGN-PC-0KCD3R)
Synonyms:
MDL No: MFCD06335785
Molecular Formula: C11H15NO4S
Molecular Weight: 257.3061

Identification/Properties


Computed Properties
Molecular Weight:
257.304g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
257.072g/mol
Monoisotopic Mass:
257.072g/mol
Topological Polar Surface Area:
91.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
377
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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