Basic information
- CAS
14445-79-5- Standard SMILES
[N-]=C=C1C(=O)C(=O)C(Cl)=C([O-])C1=O.[Na+].[Na+]- InChIKey
YTKUZRVOWLCUBK-UHFFFAOYSA-M- Molecular formula
- C7ClNNa2O4
- Average molar mass
- 243.51 g/mol
- Monoisotopic mass
- 242.9311237
Names & identifiers
- Preferred name
- 1,4-Cyclohexadiene-1-carbonitrile, 4-chloro-2,5-dihydroxy-3,6-dioxo-, sodium salt (1:2)
- IUPAC
- disodium;5-(azanidylidenemethylidene)-2-chloro-3,4,6-trioxocyclohexen-1-olate
Names & synonyms
14445-79-51,4-Cyclohexadiene-1-carbonitrile, 4-chloro-2,5-dihydroxy-3,6-dioxo-, sodium salt (1:2)RefChem:4165671,4-Cyclohexadiene-1-carbonitrile, 4-chloro-2,5-dihydroxy-3,6-dioxo-, disodium saltDTXSID1065768YTKUZRVOWLCUBK-UHFFFAOYSA-MDISODIUM 2-CHLORO-5-CYANO-3,6-DIOXOCYCLOHEXA-1,4-DIENE-1,4-BIS(OLATE)
Database identifiers
- CAS
14445-79-5- PubChem CID
- 84441
- DTXSID
DTXSID1065768
Properties
Computed structural properties
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 383
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Cyclohexadiene-1-carbonitrile, 4-chloro-2,5-dihydroxy-3,6-dioxo-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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