DDE b
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CAS Number 72-55-9
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Catalog Number io-2097
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Classification Aryl Halides
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Molecular Weight 318.0000
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SMILES C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl
| Size | QTY | Notes | |
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DDE (Dichlorodiphenyldichloroethylene) can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity and male reproductive toxicity according to The Environmental Protection Agency (EPA).
| 1 | p,p'-DDE |
| 2 | 4,4'-DDE |
| 3 | 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene |
| 4 | dichlorodiphenyldichloroethylene |
| 5 | 2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene |
| Molecular Formula | C14H8Cl4 |
|---|---|
| Canonical SMILES | C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl |
| Isomeric SMILES | C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl |
| Molecular Weight | 318.0000 |
| InChIKey | UCNVFOCBFJOQAL-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H |
| XLogP | 7.0000 |
| ExactMass | 317.9351 |
| MonoisotopicMass | 315.9380 |
| TPSA | 0.0000 |
| Complexity | 269.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 955 |
| PatentFamilyCount | 352 |
| LiteratureCount | 5643 |
