2-Chloro-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
24605-25-2- Standard SMILES
COC1=CC(=O)C(Cl)=C(OC)C1=O- InChIKey
DOUBTHUXZIOSDR-UHFFFAOYSA-N- Molecular formula
- C8H7ClO4
- Average molar mass
- 202.59 g/mol
- Monoisotopic mass
- 202.0032864
Names & identifiers
- Preferred name
- 2-Chloro-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-chloro-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
24605-25-22-chloro-3,5-dimethoxycyclohexa-2,5-diene-1,4-dioneNSC291283SCHEMBL4463980DTXSID00315025NSC-291283
Database identifiers
- CAS
24605-25-2- PubChem CID
- 324783
- DTXSID
DTXSID00315025- Nikkaji
- J747.088F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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