2-Phenoxyethyl iodoacetate
Basic information
- CAS
5437-00-3- Standard SMILES
O=C(CI)OCCOc1ccccc1- InChIKey
WUFOHBJTJJRCJY-UHFFFAOYSA-N- Molecular formula
- C10H11IO3
- Average molar mass
- 306.1 g/mol
- Monoisotopic mass
- 305.97529
Names & identifiers
- Preferred name
- 2-Phenoxyethyl iodoacetate
- IUPAC
- 2-phenoxyethyl 2-iodoacetate
Names & synonyms
5437-00-32-phenoxyethyl iodoacetate2-phenoxyethyl 2-iodoacetateNSC21809DTXSID50281488NSC-21809DS-000812
Database identifiers
- CAS
5437-00-3- PubChem CID
- 228709
- DTXSID
DTXSID50281488
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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