2-[(4-Chlorophenyl)methylidene]cyclopent-4-ene-1,3-dione
Basic information
- CAS
34428-34-7- Standard SMILES
O=C1C=CC(=O)C1=Cc1ccc(Cl)cc1- InChIKey
VBUQUPALUDSVOO-UHFFFAOYSA-N- Molecular formula
- C12H7ClO2
- Average molar mass
- 218.63 g/mol
- Monoisotopic mass
- 218.0134572
Names & identifiers
- Preferred name
- 2-[(4-Chlorophenyl)methylidene]cyclopent-4-ene-1,3-dione
- IUPAC
- 2-[(4-chlorophenyl)methylidene]cyclopent-4-ene-1,3-dione
Names & synonyms
34428-34-72-[(4-chlorophenyl)methylidene]cyclopent-4-ene-1,3-dioneNSC271602CHEMBL1835079DTXSID40313525NSC-2716022-[(4-chlorophenyl)methylene]cyclopent-4-ene-1,3-dione
Database identifiers
- CAS
34428-34-7- PubChem CID
- 321332
- DTXSID
DTXSID40313525- ChEMBL
CHEMBL1835079
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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