2-Chloro-1-(2,4-dibromophenyl)vinyl diethyl phosphate
PubChem CID: 6445631
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| Compound Synonyms | BRN 2300643, SD-8446, 2-Chloro-1-(2,4-dibromophenyl)vinyl diethyl phosphate, Phosphoric acid, 2-chloro-1-(2,4-dibromophenyl)vinyl diethyl ester, 37913-81-8 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 370.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-2-chloro-1-(2,4-dibromophenyl)ethenyl] diethyl phosphate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C12H14Br2ClO4P |
| Prediction Swissadme | 1.0 |
| Inchi Key | KHQZEDPNQABKFN-XYOKQWHBSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.293 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.067 |
| Compound Name | 2-Chloro-1-(2,4-dibromophenyl)vinyl diethyl phosphate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 447.866 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 445.868 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 448.47 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.415445000000001 |
| Inchi | InChI=1S/C12H14Br2ClO4P/c1-3-17-20(16,18-4-2)19-12(8-15)10-6-5-9(13)7-11(10)14/h5-8H,3-4H2,1-2H3/b12-8+ |
| Smiles | CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Br)Br |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polyalthia Nemoralis (Plant) Rel Props:Source_db:cmaup_ingredients