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313259-10-8 | 3-[(4-iodophenyl)sulfamoyl]benzoic acid
CAS No: 313259-10-8 Catalog No: AG019GLY MDL No:MFCD00658186
Product Description
Catalog Number:
AG019GLY
Chemical Name:
3-[(4-iodophenyl)sulfamoyl]benzoic acid
CAS Number:
313259-10-8
Molecular Formula:
C13H10INO4S
Molecular Weight:
403.1923
MDL Number:
MFCD00658186
IUPAC Name:
3-[(4-iodophenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C13H10INO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)
InChI Key:
FJEWWICNTWMZOK-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.938g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.19g/mol
Monoisotopic Mass:
402.938g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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