DDT
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CAS Number 50-29-3
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Catalog Number io-2098
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Classification Aryl Halides
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Molecular Weight 354.5000
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SMILES C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl
| Size | QTY | Notes | |
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DDT (Dichlorodiphenyltrichloroethane) can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to The National Institute for Occupational Safety and Health (NIOSH) and The Environmental Protection Agency (EPA).
| 1 | Clofenotane |
| 2 | p,p'-DDT |
| 3 | Chlorophenothane |
| 4 | dichlorodiphenyltrichloroethane |
| 5 | Dicophane |
| Molecular Formula | C14H9Cl5 |
|---|---|
| Canonical SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl |
| Isomeric SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl |
| Molecular Weight | 354.5000 |
| InChIKey | YVGGHNCTFXOJCH-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H |
| XLogP | 6.9000 |
| ExactMass | 353.9117 |
| MonoisotopicMass | 351.9147 |
| TPSA | 0.0000 |
| Complexity | 250.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 19 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 57337 |
| PatentFamilyCount | 18650 |
| LiteratureCount | 17035 |
