Home Sulfos 2-trifluoromethanesulfonamidobenzoic acid

2-trifluoromethanesulfonamidobenzoic acid

CAS No.:
80798-75-0
Catalog Number:
AG01ABFD
Molecular Formula:
C8H6F3NO4S
Molecular Weight:
269.1977
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ABFD
Chemical Name:
2-trifluoromethanesulfonamidobenzoic acid
CAS Number:
80798-75-0
Molecular Formula:
C8H6F3NO4S
Molecular Weight:
269.1977
MDL Number:
MFCD11649631
IUPAC Name:
2-(trifluoromethylsulfonylamino)benzoic acid
InChI:
InChI=1S/C8H6F3NO4S/c9-8(10,11)17(15,16)12-6-4-2-1-3-5(6)7(13)14/h1-4,12H,(H,13,14)
InChI Key:
HXAXYYGCCXHZDH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1NS(=O)(=O)C(F)(F)F
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.997g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.194g/mol
Monoisotopic Mass:
268.997g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties