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Basic information
- CAS
3229-28-5- Standard SMILES
O=C1CC(=O)C(Cl)=C1Cl- InChIKey
ZMDBOAVLPMABSU-UHFFFAOYSA-N- Molecular formula
- C5H2Cl2O2
- Average molar mass
- 164.97 g/mol
- Monoisotopic mass
- 163.9431847
Names & identifiers
- Preferred name
- 4,5-Dichlorocyclopent-4-ene-1,3-dione
- IUPAC
- 4,5-dichlorocyclopent-4-ene-1,3-dione
Names & synonyms
4,5-dichlorocyclopent-4-ene-1,3-dione3229-28-5DTXSID90298535RefChem:285340DTXCID80249672NSC124076SCHEMBL2591478AKOS006276859NSC-1240764,5-dichloro-4-cyclopenten-1,3-dione4,5-dichloro-4-cyclopentene-1,3-dione
Database identifiers
- CAS
3229-28-5- PubChem CID
- 276341
- DTXSID
DTXSID90298535
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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