Home Sulfos 2-benzenesulfonamido-5-chlorobenzoic acid

2-benzenesulfonamido-5-chlorobenzoic acid

CAS No.:
138964-58-6
Catalog Number:
AG01AA04
Molecular Formula:
C13H10ClNO4S
Molecular Weight:
311.7408
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Product Description
Catalog Number:
AG01AA04
Chemical Name:
2-benzenesulfonamido-5-chlorobenzoic acid
CAS Number:
138964-58-6
Molecular Formula:
C13H10ClNO4S
Molecular Weight:
311.7408
MDL Number:
MFCD09044105
IUPAC Name:
2-(benzenesulfonamido)-5-chlorobenzoic acid
InChI:
InChI=1S/C13H10ClNO4S/c14-9-6-7-12(11(8-9)13(16)17)15-20(18,19)10-4-2-1-3-5-10/h1-8,15H,(H,16,17)
InChI Key:
VHCWWQHZZNFJRT-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)O)NS(=O)(=O)c1ccccc1
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.002g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
311.736g/mol
Monoisotopic Mass:
311.002g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties