Basic information
- CAS
2630-13-9- Standard SMILES
CCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl- InChIKey
CBFJCDXICHREJI-UHFFFAOYSA-N- Molecular formula
- C14H17Cl3O3
- Average molar mass
- 339.6 g/mol
- Monoisotopic mass
- 338.024327
Names & identifiers
- Preferred name
- Hexyl (2,4,5-trichlorophenoxy)acetate
- IUPAC
- hexyl 2-(2,4,5-trichlorophenoxy)acetate
- English name
- hexyl (2,4,5-trichlorophenoxy)acetate
- Molecular formula
- C14H17Cl3O3
- Molecular weight
- 339.64
Names & synonyms
Hexyl (2,4,5-trichlorophenoxy)acetate2630-13-9hexyl 2,4,5-trichloro-phenoxyacetateEINECS 220-108-3DTXSID40949161CBFJCDXICHREJI-UHFFFAOYSA-NNS00047995(2,4,5-Trichlorophenoxy)acetic acid hexyl esterAcetic acid, 2-(2,4,5-trichlorophenoxy)-, hexyl ester
Database identifiers
- CAS
2630-13-9- PubChem CID
- 75823
- DTXSID
DTXSID40949161- EC Number
- 220-108-3
- Nikkaji
- J192.146K
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 455.89 °C · 455.89°C (rough estimate)
- Density
- 1.2856 · 1.2856 (rough estimate)
- refractive index
- 1.532 · 1.5320 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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