Basic information
- CAS
91394-20-6- Standard SMILES
CC(=O)Oc1ccc(C)c(C(C)C(Cl)(Cl)Cl)c1- InChIKey
ITGRLPWQEPOXDB-UHFFFAOYSA-N- Molecular formula
- C12H13Cl3O2
- Average molar mass
- 295.6 g/mol
- Monoisotopic mass
- 293.998113
Names & identifiers
- Preferred name
- 4-Methyl-3-(1,1,1-trichloropropan-2-yl)phenyl acetate
- IUPAC
- [4-methyl-3-(1,1,1-trichloropropan-2-yl)phenyl] acetate
Names & synonyms
91394-20-64-methyl-3-(1,1,1-trichloropropan-2-yl)phenyl acetateNSC97613DTXSID20294666NSC-97613
Database identifiers
- CAS
91394-20-6- PubChem CID
- 263226
- DTXSID
DTXSID20294666
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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