Home Sulfos 4-fluoro-3-[(methylamino)sulfonyl]benzoic acid

4-fluoro-3-[(methylamino)sulfonyl]benzoic acid

CAS No.:
926196-72-7
Catalog Number:
AG00J929
Molecular Formula:
C8H8FNO4S
Molecular Weight:
233.2168
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Product Description
Catalog Number:
AG00J929
Chemical Name:
4-fluoro-3-[(methylamino)sulfonyl]benzoic acid
CAS Number:
926196-72-7
Molecular Formula:
C8H8FNO4S
Molecular Weight:
233.2168
MDL Number:
MFCD09041537
IUPAC Name:
4-fluoro-3-(methylsulfamoyl)benzoic acid
InChI:
InChI=1S/C8H8FNO4S/c1-10-15(13,14)7-4-5(8(11)12)2-3-6(7)9/h2-4,10H,1H3,(H,11,12)
InChI Key:
NAUQCMNLXQNWRK-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1cc(ccc1F)C(=O)O
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.016g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.213g/mol
Monoisotopic Mass:
233.016g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties