Home Sulfos 3-methanesulfonamido-5-(trifluoromethyl)benzoic acid

3-methanesulfonamido-5-(trifluoromethyl)benzoic acid

CAS No.:
1291361-71-1
Catalog Number:
AG01BG8A
Molecular Formula:
C9H8F3NO4S
Molecular Weight:
283.2243
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Product Description
Catalog Number:
AG01BG8A
Chemical Name:
3-methanesulfonamido-5-(trifluoromethyl)benzoic acid
CAS Number:
1291361-71-1
Molecular Formula:
C9H8F3NO4S
Molecular Weight:
283.2243
MDL Number:
MFCD13293235
IUPAC Name:
3-(methanesulfonamido)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H8F3NO4S/c1-18(16,17)13-7-3-5(8(14)15)2-6(4-7)9(10,11)12/h2-4,13H,1H3,(H,14,15)
InChI Key:
NZNOCAQSJMOSJA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(F)(F)F)NS(=O)(=O)C
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.013g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.221g/mol
Monoisotopic Mass:
283.013g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties