Basic information
- CAS
7495-87-6- Standard SMILES
CCOC(=O)C(Cl)(Cl)C(Cl)(OCC)C(=O)OCC- InChIKey
WHFHADFMHKDXLE-UHFFFAOYSA-N- Molecular formula
- C10H15Cl3O5
- Average molar mass
- 321.6 g/mol
- Monoisotopic mass
- 319.998507
Names & identifiers
- Preferred name
- Diethyl 2,2,3-trichloro-3-ethoxybutanedioate
- IUPAC
- diethyl 2,2,3-trichloro-3-ethoxybutanedioate
Names & synonyms
7495-87-6diethyl 2,2,3-trichloro-3-ethoxybutanedioateNSC407782DIETHYL 2,2,3-TRICHLORO-3-ETHOXY-BUTANEDIOATEDTXSID40324833NSC-407782
Database identifiers
- CAS
7495-87-6- PubChem CID
- 348472
- DTXSID
DTXSID40324833
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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