Basic information
- CAS
1917-95-9- Standard SMILES
CCCCCCOC(=O)COc1cc(Cl)cc(Cl)c1- InChIKey
NUNKKICOTPQQTH-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2O3
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 304.0632998
Names & identifiers
- Preferred name
- Hexyl 2,4-dichlorophenoxyacetate
- IUPAC
- hexyl 2-(3,5-dichlorophenoxy)acetate
- English name
- hexyl 2,4-dichlorophenoxyacetate
- Molecular formula
- C14H18Cl2O3
- Molecular weight
- 305.19692
Names & synonyms
Hexyl 2,4-dichlorophenoxyacetateDTXSID80940814hexyl (3,5-dichlorophenoxy)acetateEINECS 217-633-5(2,4-Dichlorophenoxy)acetic acid hexyl ester
Database identifiers
- CAS
1917-95-9- PubChem CID
- 15964
- DTXSID
DTXSID80940814
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 419.62 °C · 419.62°C (rough estimate)
- Density
- 1.2008 · 1.2008 (rough estimate)
- refractive index
- 1.5209 · 1.5209 (estimate)
- Water Solubility
- 5.924 mg/L · 5.924mg/L(temperature not stated)
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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