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18813-87-1

18813-87-1 | Benzoic acid, 4-[[(4-ethoxyphenyl)amino]sulfonyl]-

CAS No: 18813-87-1 Catalog No: AG002GQ4 MDL No:MFCD03480189

Product Description

Catalog Number:
AG002GQ4
Chemical Name:
Benzoic acid, 4-[[(4-ethoxyphenyl)amino]sulfonyl]-
CAS Number:
18813-87-1
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
MDL Number:
MFCD03480189
IUPAC Name:
4-[(4-ethoxyphenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C15H15NO5S/c1-2-21-13-7-5-12(6-8-13)16-22(19,20)14-9-3-11(4-10-14)15(17)18/h3-10,16H,2H2,1H3,(H,17,18)
InChI Key:
WVFUNYMSRKMAJM-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)O

Properties

Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.067g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.347g/mol
Monoisotopic Mass:
321.067g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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