Leptophos
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CAS Number 21609-90-5
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Catalog Number io-2572
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Classification Aryl Halides
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Molecular Weight 412.1000
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SMILES COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl
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O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate is an organic phosphonate that is phenylphosphonothioic O,O-acid in which the hydroxy groups are substituted by methoxy and 4-bromo-2,5-dichlorophenoxy groups. It is a dichlorobenzene, a member of bromobenzenes, an organic phosphonate and a phosphonic ester.
| 1 | LEPTOPHOS |
| 2 | Oleophosvel |
| 3 | Phosvel |
| 4 | Fosvel |
| 5 | Abar |
| Molecular Formula | C13H10BrCl2O2PS |
|---|---|
| Canonical SMILES | COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl |
| Isomeric SMILES | COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl |
| Molecular Weight | 412.1000 |
| InChIKey | CVRALZAYCYJELZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3 |
| XLogP | 6.3000 |
| ExactMass | 409.8700 |
| MonoisotopicMass | 409.8700 |
| TPSA | 50.6000 |
| Complexity | 368.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 20 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 7541 |
| PatentFamilyCount | 4958 |
| LiteratureCount | 336 |
