3,3-Dibromoacrylaldehyde
PubChem CID: 13013106
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,3-Dibromoacrylaldehyde, 18328-08-0, Dibromacrolein |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3-dibromoprop-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C3H2Br2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DNBBIPGUJIGEQY-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.16 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.743 |
| Compound Name | 3,3-Dibromoacrylaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 213.845 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.847 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 213.86 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0827071999999998 |
| Inchi | InChI=1S/C3H2Br2O/c4-3(5)1-2-6/h1-2H |
| Smiles | C(=C(Br)Br)C=O |
| 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