4,5-Diphenoxybenzene-1,2-dicarbonitrile
Basic information
- CAS
147699-63-6- Standard SMILES
N#Cc1cc(Oc2ccccc2)c(Oc2ccccc2)cc1C#N- InChIKey
WLHHJDXXVXXPPI-UHFFFAOYSA-N- Molecular formula
- C20H12N2O2
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.08987763
Names & identifiers
- Preferred name
- 4,5-Diphenoxybenzene-1,2-dicarbonitrile
- IUPAC
- 4,5-diphenoxybenzene-1,2-dicarbonitrile
- English name
- 1,2-Benzenedicarbonitrile, 4,5-diphenoxy-
- Molecular formula
- C20H12N2O2
- Molecular weight
- 312.32
Names & synonyms
4,5-diphenoxyphthalonitrile4,5-diphenoxybenzene-1,2-dicarbonitrile147699-63-64,5-Diphenoxy-1,2-benzenedicarbonitrileOprea1_030971SCHEMBL523138WLHHJDXXVXXPPI-UHFFFAOYSA-NDTXSID201277909AKOS0243259484,5-BIS-PHENOXY-PHTHALONITRILEDB-0945891,2-Benzenedicarbonitrile, 4,5-diphenoxy-
Database identifiers
- CAS
147699-63-6- PubChem CID
- 680327
- DTXSID
DTXSID201277909- EC Number
- 104-377-3
- Nikkaji
- J2.179.956D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Melting point
- 159 · 159-163 °C(Solv: acetone (67-64-1); water (7732-18-5))
- Boiling point
- 456.1 · 456.1±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
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Related reactions
8 records
Compound notes
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