1-(2-Chlorophenoxy)propan-2-yl 2-methylpropanoate
Basic information
- CAS
5436-81-7- Standard SMILES
CC(COc1ccccc1Cl)OC(=O)C(C)C- InChIKey
CKFFHVYJTMPBBM-UHFFFAOYSA-N- Molecular formula
- C13H17ClO3
- Average molar mass
- 256.72 g/mol
- Monoisotopic mass
- 256.0866221
Names & identifiers
- Preferred name
- 1-(2-Chlorophenoxy)propan-2-yl 2-methylpropanoate
- IUPAC
- 1-(2-chlorophenoxy)propan-2-yl 2-methylpropanoate
Names & synonyms
5436-81-71-(2-chlorophenoxy)propan-2-yl 2-methylpropanoateNSC21776DTXSID00281473NSC-21776
Database identifiers
- CAS
5436-81-7- PubChem CID
- 228679
- DTXSID
DTXSID00281473
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…