Benzenamine, 3-(trifluoromethyl)-
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CAS Number 98-16-8
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Catalog Number io-1787
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Classification Amines
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Molecular Weight 161.1200
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SMILES C1=CC(=CC(=C1)N)C(F)(F)F
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | 3-(Trifluoromethyl)aniline |
| 2 | 3-Aminobenzotrifluoride |
| 3 | m-Aminobenzotrifluoride |
| 4 | 3-Trifluoromethylaniline |
| 5 | Benzenamine, 3-(trifluoromethyl)- |
| Molecular Formula | C7H6F3N |
|---|---|
| Canonical SMILES | C1=CC(=CC(=C1)N)C(F)(F)F |
| Isomeric SMILES | C1=CC(=CC(=C1)N)C(F)(F)F |
| Molecular Weight | 161.1200 |
| InChIKey | VIUDTWATMPPKEL-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2 |
| XLogP | 2.3000 |
| ExactMass | 161.0452 |
| MonoisotopicMass | 161.0452 |
| TPSA | 26.0000 |
| Complexity | 132.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 11 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 10974 |
| PatentFamilyCount | 3706 |
| LiteratureCount | 186 |
