| CAS Number | 1097007-41-4 |
| Catalog Number | AG01BHD2 |
| Chemical Name | 5-(cyclopentanesulfonyl)-2-fluorobenzoic acid |
| IUPAC Name | 5-cyclopentylsulfonyl-2-fluorobenzoic acid |
| InChI | InChI=1S/C12H13FO4S/c13-11-6-5-9(7-10(11)12(14)15)18(16,17)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15) |
| InChI Key | MRFXHBLYYUDVMP-UHFFFAOYSA-N |
| MDL Number | MFCD11539751 |
| Molecular Formula | C12H13FO4S |
| Molecular Weight | 272.2926 |
| SMILES | OC(C1=C(F)C=CC(S(C2CCCC2)(=O)=O)=C1)=O |
| Synonyms | 5-(cyclopentanesulfonyl)-2-fluorobenzoic acid,
1097007-41-4,
ZINC37310646,
|
| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.29g/mol |
| Monoisotopic Mass | 272.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number