Basic information
- CAS
329049-12-9- Standard SMILES
O=C(COC(=O)C1CC=CCC1C(=O)OCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
TVNOPUPNFVVPJF-UHFFFAOYSA-N- Molecular formula
- C24H20Cl2O6
- Average molar mass
- 475.3 g/mol
- Monoisotopic mass
- 474.0636937
Names & identifiers
- Preferred name
- Bis[2-(4-chlorophenyl)-2-oxoethyl] cyclohex-4-ene-1,2-dicarboxylate
- IUPAC
- bis[2-(4-chlorophenyl)-2-oxoethyl] cyclohex-4-ene-1,2-dicarboxylate
- English name
- bis[2-(4-chlorophenyl)-2-oxoethyl] 4-cyclohexene-1,2-dicarboxylate
- Molecular formula
- C24H20Cl2O6
- Molecular weight
- 475.318
Names & synonyms
bis[2-(4-chlorophenyl)-2-oxoethyl] cyclohex-4-ene-1,2-dicarboxylatebis(2-(4-chlorophenyl)-2-oxoethyl) cyclohex-4-ene-1,2-dicarboxylateChemDiv3_001117Oprea1_410710HMS1476C17STK252491AKOS001596063AKOS021987380IDI1_020083NCGC00172973-01NCGC00172973-02ST50854498
Show more names
AB01232896-03AK-918/40318459SR-01000418769SR-01000418769-1BRD-A18811815-001-01-0bis[2-(4-chlorophenyl)-2-oxoethyl] 4-cyclohexene-1,2-dicarboxylate2-(4-chlorophenyl)-2-oxoethyl 6-{[2-(4-chlorophenyl)-2-oxoethyl]oxycarbonyl}cy clohex-3-enecarboxylate329049-12-9
Database identifiers
- CAS
329049-12-9- PubChem CID
- 2883047
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 660
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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