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89066-53-5 | Benzoic acid, 2-[[(ethoxycarbonyl)amino]sulfonyl]-, ethyl ester
CAS No: 89066-53-5 Catalog No: AG0041AD MDL No:
Product Description
Catalog Number:
AG0041AD
Chemical Name:
Benzoic acid, 2-[[(ethoxycarbonyl)amino]sulfonyl]-, ethyl ester
CAS Number:
89066-53-5
Molecular Formula:
C12H15NO6S
Molecular Weight:
301.3156
IUPAC Name:
ethyl 2-(ethoxycarbonylsulfamoyl)benzoate
InChI:
InChI=1S/C12H15NO6S/c1-3-18-11(14)9-7-5-6-8-10(9)20(16,17)13-12(15)19-4-2/h5-8H,3-4H2,1-2H3,(H,13,15)
InChI Key:
NMDRGKKNVPHPGU-UHFFFAOYSA-N
SMILES:
CCOC(=O)NS(=O)(=O)c1ccccc1C(=O)OCC
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.313g/mol
Monoisotopic Mass:
301.062g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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