Basic information
- CAS
53548-21-3- Standard SMILES
O=C(O)CCOc1c(Cl)cc(Cl)cc1Cl- InChIKey
CJFMEZGDFLYDEP-UHFFFAOYSA-N- Molecular formula
- C9H7Cl3O3
- Average molar mass
- 269.5 g/mol
- Monoisotopic mass
- 267.946077
Names & identifiers
- Preferred name
- 2-(2,4,6-Trichlorophenoxy)propionic acid
- IUPAC
- 3-(2,4,6-trichlorophenoxy)propanoic acid
Names & synonyms
EINECS 212-297-6NSC 65584RefChem:451866212-297-62-(2,4,6-Trichlorophenoxy)propionic acid53548-21-33-(2,4,6-trichlorophenoxy)propanoic acidPropionic acid, 2-(2,4,6-trichlorophenoxy)-DTXSID50968308AKOS000133330
Database identifiers
- CAS
53548-21-3、778-83-6- PubChem CID
- 69901
- DTXSID
DTXSID50968308
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…