Basic information
- CAS
7012-60-4- Standard SMILES
CCOC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)C(=O)OCC- InChIKey
RBCQASOZEMIVSP-UHFFFAOYSA-N- Molecular formula
- C21H22Cl2O4
- Average molar mass
- 409.3 g/mol
- Monoisotopic mass
- 408.0895146
Names & identifiers
- Preferred name
- Diethyl 2,2-bis[(4-chlorophenyl)methyl]propanedioate
- IUPAC
- diethyl 2,2-bis[(4-chlorophenyl)methyl]propanedioate
Names & synonyms
7012-60-4diethyl 2,2-bis[(4-chlorophenyl)methyl]propanedioateDiethyl bis(4-dichlorobenzyl)malonateDiethyl 2,2-bis(4-chlorobenzyl)malonateMFCD00018795NSC165868SCHEMBL14935106DTXSID10329855AKOS024323192NSC-165868DIETHYL BIS-(4-CHLOROBENZYL)-MALONATEDiethyl bis[(4-chlorophenyl)methyl]propanedioate
Database identifiers
- CAS
7012-60-4- PubChem CID
- 424482
- DTXSID
DTXSID10329855- Nikkaji
- J656.809B
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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