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83404-84-6

83404-84-6 | Benzoic acid, 2-[[(ethoxycarbonyl)amino]sulfonyl]-, methyl ester

CAS No: 83404-84-6 Catalog No: AG004VK5 MDL No:

Product Description

Catalog Number:
AG004VK5
Chemical Name:
Benzoic acid, 2-[[(ethoxycarbonyl)amino]sulfonyl]-, methyl ester
CAS Number:
83404-84-6
Molecular Formula:
C11H13NO6S
Molecular Weight:
287.2890
IUPAC Name:
methyl 2-(ethoxycarbonylsulfamoyl)benzoate
InChI:
InChI=1S/C11H13NO6S/c1-3-18-11(14)12-19(15,16)9-7-5-4-6-8(9)10(13)17-2/h4-7H,3H2,1-2H3,(H,12,14)
InChI Key:
BBWHQLKJTKMTBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)NS(=O)(=O)c1ccccc1C(=O)OC

Properties

Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.046g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.286g/mol
Monoisotopic Mass:
287.046g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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