1,1,3,3-Tetrabromoacetone
PubChem CID: 608441
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,1,3,3-Tetrabromoacetone, 22612-89-1, 1,1,3,3-tetrabromopropan-2-one, MFCD00059470, 1,1,3,3-Tetrabromopropanone, DTXSID50345973, 2-Propanone, 1,1,3,3-tetrabromo-, 1,1,3,3-Tetrabromo-2-propanone, 1,1,3,3-Tetrabromo-2-propanone, 1,1,3,3-Tetrabromoacetone, 1,1,3,3-Tetrabromopropanone, a,a,a',a'-Tetrabromoacetone, 2-Propanone,1,1,3,3-tetrabromo-, SCHEMBL626354, SAMNBOHOBWEEEU-UHFFFAOYSA-, DTXCID70297046, GEO-02713, AKOS015902378, CS-11017, SY002841, T1026, InChI=1/C3H2Br4O/c4-2(5)1(8)3(6)7/h2-3H, 678-413-6 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 79.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,3,3-tetrabromopropan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.3 |
| Molecular Formula | C3H2Br4O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SAMNBOHOBWEEEU-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.165 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.364 |
| Compound Name | 1,1,3,3-Tetrabromoacetone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 373.68 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.684 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 373.66 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1100168 |
| Inchi | InChI=1S/C3H2Br4O/c4-2(5)1(8)3(6)7/h2-3H |
| Smiles | C(C(=O)C(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