Benzoic acid, 2-amino-4-(methylsulfonyl)-


Chemical Name: Benzoic acid, 2-amino-4-(methylsulfonyl)-
CAS Number: 393085-45-5
Product Number: AG00BZIP(AGN-PC-0KKODK)
Synonyms:
MDL No:
Molecular Formula: C8H9NO4S
Molecular Weight: 215.2264

Identification/Properties


Properties
MP:
240 - 243ºC
BP:
493.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
215.223g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
215.025g/mol
Monoisotopic Mass:
215.025g/mol
Topological Polar Surface Area:
106A^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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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