4-Chloro-o-benzoquinone
Basic information
- CAS
31222-02-3- Standard SMILES
O=C1C=CC(Cl)=CC1=O- InChIKey
LOLOOGVNFWMAIO-UHFFFAOYSA-N- Molecular formula
- C6H3ClO2
- Average molar mass
- 142.54 g/mol
- Monoisotopic mass
- 141.982157
Names & identifiers
- Preferred name
- 4-Chloro-o-benzoquinone
- IUPAC
- 4-chlorocyclohexa-3,5-diene-1,2-dione
- English name
- 3-07-00-03354 (Beilstein Handbook Reference)
- Molecular weight
- 0
Names & synonyms
4-chlorocyclohexa-3,5-diene-1,2-dione31222-02-34-Chloro-o-benzoquinoneo-Benzoquinone, 4-chloro-4-chloro-1,2-benzoquinoneBRN 25732953-07-00-03354 (Beilstein Handbook Reference)SCHEMBL8662559DTXSID50953299AKOS0063729305-Chloro-3,5-cyclohexadiene-1,2-dione4-Chloro-3,5-cyclohexadiene-1,2-dione
Database identifiers
- CAS
31222-02-3- PubChem CID
- 93145
- DTXSID
DTXSID50953299- Nikkaji
- J65.479E
Properties
Computed structural properties
- XLogP
- 0.7
- 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
- 225
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Related reactions
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Compound notes
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