2(5H)-Furanone, 4-bromo-5-(bromomethylene)-, (5Z)-
PubChem CID: 10131246
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| Compound Synonyms | 247167-54-0, Furanone C-30, 2(5H)-Furanone, 4-bromo-5-(bromomethylene)-, (5Z)-, Furanone C30, (5z)-4-bromo-5-(bromomethylene)-2(5h)-furanone, (Z)-4-bromo-5-(bromomethylene)furan-2(5H)-one, (5Z)-4-bromo-5-(bromomethylidene)furan-2-one, 32323-47-0, 4-Bromo-5-(bromomethylene)furan-2(5H)-one, 4-bromo-5-(bromomethylene)-2(5H)-furanone, MFCD16875408, SCHEMBL1960492, CHEMBL1253219, DPGLBHQUHFJRJS-RQOWECAXSA-N, AKOS037646413, AS-68636, DA-63638, HY-131011, CS-0120371, E89213, (Z)-4-Bromo-5-(brommethylen)-2(5H)-furanone, (5Z)-4-bromo-5-(bromomethylidene)-2,5-dihydrofuran-2-one, (Z-)-4-Bromo-5-(bromomethylene)-2(5H)-furanone, >=97.0% (GC) |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P25084, P14756, Q9I4X3 |
| Iupac Name | (5Z)-4-bromo-5-(bromomethylidene)furan-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Is Pains | False |
| Molecular Formula | C5H2Br2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DPGLBHQUHFJRJS-RQOWECAXSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.093 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.165 |
| Compound Name | 2(5H)-Furanone, 4-bromo-5-(bromomethylene)-, (5Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 253.84 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 251.842 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 253.88 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.4220374 |
| Inchi | InChI=1S/C5H2Br2O2/c6-2-4-3(7)1-5(8)9-4/h1-2H/b4-2- |
| Smiles | C1=C(/C(=C/Br)/OC1=O)Br |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all