Basic information
- CAS
4587-25-1- Standard SMILES
N#CC1=C(C#N)C(=O)C(Br)=C(Br)C1=O- InChIKey
HDEXQZFQDZGFLQ-UHFFFAOYSA-N- Molecular formula
- C8Br2N2O2
- Average molar mass
- 315.91 g/mol
- Monoisotopic mass
- 313.83265
Names & identifiers
- Preferred name
- 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-
- IUPAC
- 4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
Names & synonyms
4587-25-11,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-DTXSID00196634RefChem:1053231DTXCID401191254,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile2,3-Dibromo-5,6-dicyano-p-benzoquinoneNSC 92514BRN 26966724,5-Dibromo-3,6-dioxo-1,4-cyclohexadiene-1,2-dicarbonitrileNSC92514NCIOpen2_009970
Show more names
0-10-00-00902 (Beilstein Handbook Reference)SCHEMBL1393607NSC-925142,3-dibromo-5,6-dicyanobenzoquinone2,3-dibromo-5.6-dicyanobenzoquinone2,3-dibromo5,6-dicyano-p-benzoquinone
Database identifiers
- CAS
4587-25-1- PubChem CID
- 96899
- DTXSID
DTXSID00196634- Nikkaji
- J75.325D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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