Decyl 2-bromoacetate
PubChem CID: 228695
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| Compound Synonyms | decyl 2-bromoacetate, Decyl bromoacetate, 5436-93-1, Bromo-acetic acid decyl ester, Bromoacetic acid, decyl ester, decyl bromo acetate, decyl2-bromoacetate, decyl-2-bromoacetate, Decyl bromoacetate #, SCHEMBL1037235, DTXSID30281481, OMRFZIDOMSMRSP-UHFFFAOYSA-N, NSC21794, NSC-21794, AKOS000115076, DS-000938, EN300-01539, G35187, 999-527-5 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decyl 2-bromoacetate |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C12H23BrO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OMRFZIDOMSMRSP-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -5.652 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.522 |
| Compound Name | Decyl 2-bromoacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.088 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.088 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 279.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.177851599999999 |
| Inchi | InChI=1S/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-15-12(14)11-13/h2-11H2,1H3 |
| Smiles | CCCCCCCCCCOC(=O)CBr |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients