3,6-Bis[trichloromethyl]pyridazine
PubChem CID: 131752453
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| Compound Synonyms | 3,6-Bis[trichloromethyl]pyridazine, 1,3,5,11-Tridecatetraene-7,9-diyne, 1,3(E),5(E),11(E)-Tridecatetraen-7,9-diyne, 5-[p-Chlorobenzylidenamino]-2,4-dichlorobenzoic acid, (E,E,E)-1,3,5,11-Tridecatriene-7,9-diyne, 1,3,5,7-Tridecatetraene-7,9-diyne isomer # 1 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Description | Isolated from Carthamus tinctorius (safflower). (E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne is found in safflower, fats and oils, and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5Z,11Z)-trideca-1,3,5,11-tetraen-7,9-diyne |
| Nih Violation | True |
| Class | Unsaturated hydrocarbons |
| Xlogp | 4.2 |
| Superclass | Hydrocarbons |
| Is Pains | False |
| Subclass | Enynes |
| Molecular Formula | C13H12 |
| Inchi Key | ASVIELUINMCNMW-SZFGQAOXSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | (E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne, 1,3,5,11-Tridecatetraene-7,9-diyne, 1,3,5,11-Tridecatetraene-7,9-diyne isomer # 2, 1,3,5,11-Tridecatriene-7,9-diyne, (E,E,E)-, 1,3,5,7-Tridecatetraene-7,9-diyne isomer # 1, 1,3(E),5(E),11(E)-Tridecatetraen-7,9-diyne, 3,6-bis[trichloromethyl]pyridazine, 5-[p-Chlorobenzylidenamino]-2,4-dichlorobenzoic acid, (e,e,e)-1,3,5,11-Tridecatriene-7,9-diyne, 1,3(e),5(e),11(e)-Tridecatetraen-7,9-diyne, 3,6-Bis[trichloromethyl]pyridazine, 5-[P-chlorobenzylidenamino]-2,4-Dichlorobenzoic acid |
| Compound Name | 3,6-Bis[trichloromethyl]pyridazine |
| Kingdom | Organic compounds |
| Exact Mass | 168.094 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 168.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11H,1H2,2H3/b6-4-,7-5+,11-9- |
| Smiles | C/C=C\C#CC#C/C=C\C=C\C=C |
| Defined Bond Stereocenter Count | 3.0 |
| Taxonomy Direct Parent | Enynes |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all