Home Sulfos 4-(2-chloro-5-nitrobenzenesulfonamido)benzoic acid

4-(2-chloro-5-nitrobenzenesulfonamido)benzoic acid

CAS No.:
328028-53-1
Catalog Number:
AG019GIH
Molecular Formula:
C13H9ClN2O6S
Molecular Weight:
356.7384
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Product Description
Catalog Number:
AG019GIH
Chemical Name:
4-(2-chloro-5-nitrobenzenesulfonamido)benzoic acid
CAS Number:
328028-53-1
Molecular Formula:
C13H9ClN2O6S
Molecular Weight:
356.7384
MDL Number:
MFCD00682824
IUPAC Name:
4-[(2-chloro-5-nitrophenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C13H9ClN2O6S/c14-11-6-5-10(16(19)20)7-12(11)23(21,22)15-9-3-1-8(2-4-9)13(17)18/h1-7,15H,(H,17,18)
InChI Key:
WADZTWKEIJQZED-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.987g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
356.733g/mol
Monoisotopic Mass:
355.987g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties