Phosphonothioic acid, methyl-, O-(4- nitrophenyl) O-phenyl ester
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CAS Number 2665-30-7
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Catalog Number io-2858
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Classification Hydrocarbons
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Molecular Weight 309.2800
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SMILES CP(=S)(OC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
| Size | QTY | Notes | |
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No description available for this item
| 1 | Colep |
| 2 | ENT 25,787 |
| 3 | O-(p-Nitrophenyl) O-phenyl methylphosphonothioate |
| 4 | CP-40294 |
| 5 | PHOSPHONOTHIOIC ACID, METHYL-, O-(4-NITROPHENYL) O-PHENYL ESTER |
| Molecular Formula | C13H12NO4PS |
|---|---|
| Canonical SMILES | CP(=S)(OC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| Isomeric SMILES | CP(=S)(OC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| Molecular Weight | 309.2800 |
| InChIKey | VCLYJTVFGQHHHD-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H12NO4PS/c1-19(20,17-12-5-3-2-4-6-12)18-13-9-7-11(8-10-13)14(15)16/h2-10H,1H3 |
| XLogP | 5.2000 |
| ExactMass | 309.0225 |
| MonoisotopicMass | 309.0225 |
| TPSA | 96.4000 |
| Complexity | 373.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 20 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 142 |
| PatentFamilyCount | 109 |
| LiteratureCount | 39 |
