Basic information
- CAS
50597-26-7- Standard SMILES
COc1cc(C(O)C(Cl)(Cl)Cl)ccc1O- InChIKey
UBOSKUTVRJGZLJ-UHFFFAOYSA-N- Molecular formula
- C9H9Cl3O3
- Average molar mass
- 271.5 g/mol
- Monoisotopic mass
- 269.961727
Names & identifiers
- Preferred name
- 2-Methoxy-4-(2,2,2-trichloro-1-hydroxyethyl)phenol
- IUPAC
- 2-methoxy-4-(2,2,2-trichloro-1-hydroxyethyl)phenol
Names & synonyms
2-methoxy-4-(2,2,2-trichloro-1-hydroxyethyl)phenol50597-26-7DTXSID20304557RefChem:262543DTXCID50255689NSC166279SCHEMBL7125073NSC-166279
Database identifiers
- CAS
50597-26-7- PubChem CID
- 296276
- DTXSID
DTXSID20304557
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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