2-(2-Amino-4-chlorophenoxy)-5-chlorophenol
PubChem CID: 45490026
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| Compound Synonyms | 2-(2-amino-4-chlorophenoxy)-5-chlorophenol, Q27460210 |
|---|---|
| Topological Polar Surface Area | 55.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 255.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-amino-4-chlorophenoxy)-5-chlorophenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C12H9Cl2NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZNHVVJUATLQYST-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.19 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.678 |
| Compound Name | 2-(2-Amino-4-chlorophenoxy)-5-chlorophenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 269.001 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 269.001 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 270.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.07856594117647 |
| Inchi | InChI=1S/C12H9Cl2NO2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H,15H2 |
| Smiles | C1=CC(=C(C=C1Cl)N)OC2=C(C=C(C=C2)Cl)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Larrea Tridentata (Plant) Rel Props:Source_db:cmaup_ingredients