ethyl (2R)-2-bromo-2-iodoacetate
PubChem CID: 162852165
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | ethyl (2R)-2-bromo-2-iodoacetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C4H6BrIO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CVMRTPHUCUFKLQ-GSVOUGTGSA-N |
| Fcsp3 | 0.75 |
| Logs | -2.128 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.177 |
| Compound Name | ethyl (2R)-2-bromo-2-iodoacetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 291.86 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 291.86 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 292.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7557676 |
| Inchi | InChI=1S/C4H6BrIO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3/t3-/m1/s1 |
| Smiles | CCOC(=O)[C@H](Br)I |
| 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