Pentafluorobenzoic-13C Acid
Chemical Information
| CAS Number | 749216-74-8 |
| PubChem CID | 171380486 |
| IUPAC Name | 2,3,4,5,6-pentafluoro(13C)benzoic acid |
| Molecular Formula | C7HF5O2 |
| Molecular Weight | 213.07 |
| XLogP | 2 |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 220 |
| Property | Value |
|---|---|
| Molecular Weight | 213.07 |
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.99302492 |
| Monoisotopic Mass | 212.99302492 |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 220 |
| Isotope Atom Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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