4,5-Dichlorocyclohexa-3,5-diene-1,2-dione
Basic information
- CAS
18268-81-0- Standard SMILES
O=C1C=C(Cl)C(Cl)=CC1=O- InChIKey
WJJYKBSURRIBRY-UHFFFAOYSA-N- Molecular formula
- C6H2Cl2O2
- Average molar mass
- 176.98 g/mol
- Monoisotopic mass
- 175.9431847
Names & identifiers
- Preferred name
- 4,5-Dichlorocyclohexa-3,5-diene-1,2-dione
- IUPAC
- 4,5-dichlorocyclohexa-3,5-diene-1,2-dione
- English name
- 4,5-Dichloro-1,2-benzoquinone
- Molecular weight
- 0
Names & synonyms
4,5-dichlorocyclohexa-3,5-diene-1,2-dione18268-81-04,5-Dichloro-1,2-benzoquinone3,4-dichlorocyclohexa-2,4-diene-1,6-dioneSCHEMBL4911549DTXSID00939609
Database identifiers
- CAS
18268-81-0- PubChem CID
- 87538
- DTXSID
DTXSID00939609- Nikkaji
- J82.726F
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 235
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Related reactions
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Compound notes
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