Home Sulfos 5-(chlorosulfonyl)-2-(trifluoromethoxy)benzoic acid

5-(chlorosulfonyl)-2-(trifluoromethoxy)benzoic acid

CAS No.:
845616-29-7
Catalog Number:
AG01DSS6
Molecular Formula:
C8H4ClF3O5S
Molecular Weight:
304.6276
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Product Description
Catalog Number:
AG01DSS6
Chemical Name:
5-(chlorosulfonyl)-2-(trifluoromethoxy)benzoic acid
CAS Number:
845616-29-7
Molecular Formula:
C8H4ClF3O5S
Molecular Weight:
304.6276
MDL Number:
MFCD21364964
IUPAC Name:
5-chlorosulfonyl-2-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H4ClF3O5S/c9-18(15,16)4-1-2-6(17-8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
InChI Key:
VKDSRLYGIYPCKP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1OC(F)(F)F)S(=O)(=O)Cl
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.942g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
304.62g/mol
Monoisotopic Mass:
303.942g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties