Basic information
- CAS
7498-59-1- Standard SMILES
CCOC(=O)C(c1ccc(C)cc1)C(Cl)(Cl)Cl- InChIKey
LIKPMHGQIHRDFG-UHFFFAOYSA-N- Molecular formula
- C12H13Cl3O2
- Average molar mass
- 295.6 g/mol
- Monoisotopic mass
- 293.998113
Names & identifiers
- Preferred name
- Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate
- IUPAC
- ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate
Names & synonyms
7498-59-1NSC 407558ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoateNSC407558DTXSID60324698NSC-407558
Database identifiers
- CAS
7498-59-1- PubChem CID
- 348295
- DTXSID
DTXSID60324698
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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