DDD
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CAS Number 72-54-8
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Catalog Number io-2096
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Classification Aryl Halides
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Molecular Weight 320.0000
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SMILES C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
| Size | QTY | Notes | |
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DDD (Dichlorodiphenyldichloroethane) can cause cancer according to an independent committee of scientific and health experts.
| 1 | p,p'-DDD |
| 2 | Rhothane |
| 3 | Dilene |
| 4 | Dichlorodiphenyldichloroethane |
| 5 | Tetrachlorodiphenylethane |
| Molecular Formula | C14H10Cl4 |
|---|---|
| Canonical SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl |
| Isomeric SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl |
| Molecular Weight | 320.0000 |
| InChIKey | AHJKRLASYNVKDZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H |
| XLogP | 6.2000 |
| ExactMass | 319.9507 |
| MonoisotopicMass | 317.9537 |
| TPSA | 0.0000 |
| Complexity | 218.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1351 |
| PatentFamilyCount | 600 |
| LiteratureCount | 2057 |
