3,5-Dibromo-4-Hydroxybenzaldehyde
PubChem CID: 18100
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,5-DIBROMO-4-HYDROXYBENZALDEHYDE, 2973-77-5, Benzaldehyde, 3,5-dibromo-4-hydroxy-, MFCD00016980, EINECS 221-017-1, NSC 72944, DTXSID20183889, NSC72944, SCHEMBL373244, CHEMBL254956, DTXCID10106380, ALBB-014025, BCP21443, 3,5-dibromo-4-hydroxy-benzaldehyde, 4-hydroxy-3,5-dibromo benzaldehyde, BBL023240, NSC-72944, STK021250, AKOS000113473, FD38003, s10414, 3,5-Dibromo-4-hydroxybenzaldehyde, 98%, AC-13720, AS-12381, BP-20235, SY031533, DB-047640, CS-0008358, D0189, NS00028765, EN300-18119, AG-205/06024052, Z57176718, 221-017-1 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dibromo-4-hydroxybenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C7H4Br2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXRHGLQCOLNZPT-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.573 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.732 |
| Compound Name | 3,5-Dibromo-4-Hydroxybenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.856 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 277.858 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 279.91 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.740109363636364 |
| Inchi | InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H |
| Smiles | C1=C(C=C(C(=C1Br)O)Br)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abies Pinsapo (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Celastrus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Eleutherococcus Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Isodon Flexicaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Premna Serratifolia (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Psydrax Dicoccos (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Saponaria Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Solanum Aethiopicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Tectona Grandis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all