Benzoic acid, 2-(aminosulfonyl)-, methyl ester


Chemical Name: Benzoic acid, 2-(aminosulfonyl)-, methyl ester
CAS Number: 57683-71-3
Product Number: AG00376U(AGN-PC-0JKSSD)
Synonyms:
MDL No:
Molecular Formula: C8H9NO4S
Molecular Weight: 215.2264

Identification/Properties


Properties
MP:
126-128 °C(lit.)
BP:
401.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
215.223g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
215.025g/mol
Monoisotopic Mass:
215.025g/mol
Topological Polar Surface Area:
94.8A^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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