2,2,4-Trichloro-1,3-cyclopentenedione
Basic information
- CAS
88552-47-0- Standard SMILES
O=C1C=C(Cl)C(=O)C1(Cl)Cl- InChIKey
HJGISOWGZTZMOJ-UHFFFAOYSA-N- Molecular formula
- C5HCl3O2
- Average molar mass
- 199.41 g/mol
- Monoisotopic mass
- 197.904212
Names & identifiers
- Preferred name
- 2,2,4-Trichloro-1,3-cyclopentenedione
- IUPAC
- 2,2,4-trichlorocyclopent-4-ene-1,3-dione
Names & synonyms
88552-47-02,2,4-trichlorocyclopent-4-ene-1,3-dione2,2,4-Trichloro-1,3-cyclopentenedione2,2,4-Trichlorocyclopentene-1,3-dioneCCRIS 79462,2,3-TrichlorocyclopentenedioneDTXSID0021676HJGISOWGZTZMOJ-UHFFFAOYSA-NNS001219362,2,4-Trichloro-4-cyclopentene-1,3-dione #
Database identifiers
- CAS
88552-47-0- PubChem CID
- 150757
- DTXSID
DTXSID0021676
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 241
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Related reactions
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Compound notes
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