Benzoic acid, 3-[(methylsulfonyl)amino]-


Chemical Name: Benzoic acid, 3-[(methylsulfonyl)amino]-
CAS Number: 28547-13-9
Product Number: AG002VO4(AGN-PC-0JO5PB)
Synonyms:
MDL No: MFCD00596197
Molecular Formula: C8H9NO4S
Molecular Weight: 215.2264

Identification/Properties


Properties
BP:
414.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
215.223g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
215.025g/mol
Monoisotopic Mass:
215.025g/mol
Topological Polar Surface Area:
91.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
306
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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