Home Sulfos 3-(3,4-difluorobenzenesulfonamido)benzoic acid

3-(3,4-difluorobenzenesulfonamido)benzoic acid

CAS No.:
329268-45-3
Catalog Number:
AG019GKM
Molecular Formula:
C13H9F2NO4S
Molecular Weight:
313.2767
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Product Description
Catalog Number:
AG019GKM
Chemical Name:
3-(3,4-difluorobenzenesulfonamido)benzoic acid
CAS Number:
329268-45-3
Molecular Formula:
C13H9F2NO4S
Molecular Weight:
313.2767
MDL Number:
MFCD02709723
IUPAC Name:
3-[(3,4-difluorophenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C13H9F2NO4S/c14-11-5-4-10(7-12(11)15)21(19,20)16-9-3-1-2-8(6-9)13(17)18/h1-7,16H,(H,17,18)
InChI Key:
FHOLENLWWLBMLF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)NS(=O)(=O)c1ccc(c(c1)F)F
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.022g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.275g/mol
Monoisotopic Mass:
313.022g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties