Pentabromopropen-2-yl dibromoacetate
PubChem CID: 14826178
Connections displayed (default: 10).
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| Compound Synonyms | pentabromopropen-2-yl dibromoacetate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| 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-dibromoacetate |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C5HBr7O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVYFZWLNZNINHT-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -6.557 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.402 |
| Compound Name | Pentabromopropen-2-yl dibromoacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 651.42 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 645.426 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 652.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.1929118 |
| Inchi | InChI=1S/C5HBr7O2/c6-2(7)1(5(10,11)12)14-4(13)3(8)9/h3H |
| Smiles | C(C(=O)OC(=C(Br)Br)C(Br)(Br)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 Pulicaria Dysenterica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Uncaria Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients