Home Sulfos 3-(cyclopentanesulfonyl)-2,6-difluorobenzoic acid

3-(cyclopentanesulfonyl)-2,6-difluorobenzoic acid

CAS No.:
1097007-71-0
Catalog Number:
AG01BHFY
Molecular Formula:
C12H12F2O4S
Molecular Weight:
290.2831
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Product Description
Catalog Number:
AG01BHFY
Chemical Name:
3-(cyclopentanesulfonyl)-2,6-difluorobenzoic acid
CAS Number:
1097007-71-0
Molecular Formula:
C12H12F2O4S
Molecular Weight:
290.2831
MDL Number:
MFCD12633229
IUPAC Name:
3-cyclopentylsulfonyl-2,6-difluorobenzoic acid
InChI:
InChI=1S/C12H12F2O4S/c13-8-5-6-9(11(14)10(8)12(15)16)19(17,18)7-3-1-2-4-7/h5-7H,1-4H2,(H,15,16)
InChI Key:
XSDYIBSULGYISH-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)ccc(c1F)S(=O)(=O)C1CCCC1
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.042g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.281g/mol
Monoisotopic Mass:
290.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties