Chlorophacinone
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CAS Number 3691-35-8
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Catalog Number io-1979
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Classification Aryl Halides
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Molecular Weight 374.8000
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SMILES C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O
| Size | QTY | Notes | |
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Chlorophacinone is a diarylmethane and a beta-triketone.
| 1 | CHLOROPHACINONE |
| 2 | Liphadione |
| 3 | Chlorphacinon |
| 4 | Redentin |
| 5 | Rozol |
| Molecular Formula | C23H15ClO3 |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O |
| Isomeric SMILES | C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O |
| Molecular Weight | 374.8000 |
| InChIKey | UDHXJZHVNHGCEC-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H |
| XLogP | 4.3000 |
| ExactMass | 374.0710 |
| MonoisotopicMass | 374.0710 |
| TPSA | 51.2000 |
| Complexity | 562.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 27 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 14021 |
| PatentFamilyCount | 5616 |
| LiteratureCount | 281 |
