Home Sulfos 3-difluoromethanesulfonylthiophene-2-carboxylic acid

3-difluoromethanesulfonylthiophene-2-carboxylic acid

CAS No.:
1269151-66-7
Catalog Number:
AG01AGJU
Molecular Formula:
C6H4F2O4S2
Molecular Weight:
242.2204
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Product Description
Catalog Number:
AG01AGJU
Chemical Name:
3-difluoromethanesulfonylthiophene-2-carboxylic acid
CAS Number:
1269151-66-7
Molecular Formula:
C6H4F2O4S2
Molecular Weight:
242.2204
MDL Number:
MFCD18380607
IUPAC Name:
3-(difluoromethylsulfonyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C6H4F2O4S2/c7-6(8)14(11,12)3-1-2-13-4(3)5(9)10/h1-2,6H,(H,9,10)
InChI Key:
PTPOHXGQPBNIJK-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)c1ccsc1C(=O)O)F
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.952g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.211g/mol
Monoisotopic Mass:
241.952g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties