698999-46-1
Product Name:
α,α,α-Trifluoro-p-toluic-carboxy-13C acid
Formula:
C8H5F3O2
Synonyms:
α,α,α-Trifluoro-p-toluic-carboxy-13C acid
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COMPUTED DESCRIPTORS
| Molecular Weight | 191.11 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 191.02751872 g/mol |
| Monoisotopic Mass | 191.02751872 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 192 |
| 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 |