Pentabromopropen-2-yl tribromoacetate
PubChem CID: 14826177
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL10338936, pentabromopropen-2-yl tribromoacetate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,3,3,3-pentabromoprop-1-en-2-yl 2,2,2-tribromoacetate |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C5Br8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HGOSEIXXQFRXAF-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -6.7 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.825 |
| Compound Name | Pentabromopropen-2-yl tribromoacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 731.328 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 723.337 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 731.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.110467 |
| Inchi | InChI=1S/C5Br8O2/c6-2(7)1(4(8,9)10)15-3(14)5(11,12)13 |
| Smiles | C(=C(Br)Br)(C(Br)(Br)Br)OC(=O)C(Br)(Br)Br |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ainsliaea Dissecta (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Platycarphella Carlinoides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Uncaria Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients