Heptafluorobutyric acid
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CAS Number 375-22-4
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Catalog Number io-406938
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Molecular Weight 214.0400
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SMILES
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Perfluorobutyric acid is a monocarboxylic acid that is perfluorinated butyric acid. It has a role as a xenobiotic, a chromatographic reagent and an environmental contaminant. It is functionally related to a butyric acid.
| 1 | Heptafluorobutyric acid |
| 2 | Perfluorobutyric acid |
| 3 | Heptafluorobutanoic acid |
| 4 | Heptafluoro-1-butanoic acid |
| 5 | Perfluoropropanecarboxylic acid |
| Molecular Formula | C4HF7O2 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 214.0400 |
| InChIKey | YPJUNDFVDDCYIH-UHFFFAOYSA-N |
| InChI | InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13) |
| XLogP | 2.2000 |
| ExactMass | 213.9865 |
| MonoisotopicMass | 213.9865 |
| TPSA | 37.3000 |
| Complexity | 217.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 9 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 12313 |
| PatentFamilyCount | 4178 |
| LiteratureCount | 1484 |
