Home Sulfos 4-(chlorosulfonyl)-3-(trifluoromethoxy)benzoic acid

4-(chlorosulfonyl)-3-(trifluoromethoxy)benzoic acid

CAS No.:
1427081-55-7
Catalog Number:
AG01BDM4
Molecular Formula:
C8H4ClF3O5S
Molecular Weight:
304.6276
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Product Description
Catalog Number:
AG01BDM4
Chemical Name:
4-(chlorosulfonyl)-3-(trifluoromethoxy)benzoic acid
CAS Number:
1427081-55-7
Molecular Formula:
C8H4ClF3O5S
Molecular Weight:
304.6276
MDL Number:
MFCD24039270
IUPAC Name:
4-chlorosulfonyl-3-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H4ClF3O5S/c9-18(15,16)6-2-1-4(7(13)14)3-5(6)17-8(10,11)12/h1-3H,(H,13,14)
InChI Key:
BCCXYVLPCOAQMW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)OC(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