3,6-Dichloro-2,5-dimethoxy-4-benzoquinone
PubChem CID: 81630
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| Compound Synonyms | 7210-71-1, 2,5-Dichloro-3,6-dimethoxybenzoquinone, 3,6-Dichloro-2,5-dimethoxybenzoquinone, 84DXP5E8VX, 2,5-Dichloro-3,6-dimethoxy-p-benzoquinone, 3,6-Dichloro-2,5-dimethoxy-4-benzoquinone, NSC 110655, NSC-110655, 3,6-Dichloro-2,5-dimethoxy-p-benzoquinone, DTXSID3075171, 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dimethoxy-, p-Benzoquinone, 2,5-dichloro-3,6-dimethoxy-, NSC110655, UNII-84DXP5E8VX, SCHEMBL4908282, DTXCID3047219, 2,5-Cyclohexadiene-1,4-dione,2,5-dichloro-3,6-dimethoxy-, p-Benzoquinone,5-dichloro-3,6-dimethoxy-, 2,5-dimethoxy-3,6-dichloro-p-benzoquinone, DS-003683, 2,4-dione, 2,5-dichloro-3,6-dimethoxy-, 2,5-Dichloro-3,6-dimethoxybenzo-1,4-quinone # |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dichloro-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C8H6Cl2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JQVAMWPWHPTLNU-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.36 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.529 |
| Compound Name | 3,6-Dichloro-2,5-dimethoxy-4-benzoquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 235.964 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 235.964 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 237.03 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4817356 |
| Inchi | InChI=1S/C8H6Cl2O4/c1-13-7-3(9)6(12)8(14-2)4(10)5(7)11/h1-2H3 |
| Smiles | COC1=C(C(=O)C(=C(C1=O)Cl)OC)Cl |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adonis Vernalis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fraxinus Szaboana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Gynura Segetum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Osmorhiza Aristata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Rauvolfia Vomitoria (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Schefflera Venulosa (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Wikstroemia Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients