Basic information
- CAS
64047-35-4- Standard SMILES
CCCCOC(=O)C(Cl)(Cl)Oc1ccccc1- InChIKey
SIELAEDSLMYTRT-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2O3
- Average molar mass
- 277.14 g/mol
- Monoisotopic mass
- 276.0319997
Names & identifiers
- Preferred name
- Acetic acid, dichlorophenoxy-, butyl ester
- IUPAC
- butyl 2,2-dichloro-2-phenoxyacetate
Names & synonyms
Butyl ester of dichlorophenoxyacetic acidACETIC ACID, DICHLOROPHENOXY-, BUTYL ESTER64047-35-4DTXSID60214121RefChem:316605DTXCID60136612Butyl dichloro(phenoxy)acetateSCHEMBL3500825
Database identifiers
- CAS
64047-35-4- PubChem CID
- 46691
- DTXSID
DTXSID60214121
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Acetic acid, (dichlorophenoxy)-, butyl ester: Human health tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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