Basic information
- CAS
109702-53-6- Standard SMILES
CCc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1- InChIKey
NCESTMIXNQOCRN-UHFFFAOYSA-N- Molecular formula
- C16H12N2O
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.09496301
Names & identifiers
- Preferred name
- 1,2-Benzenedicarbonitrile, 4-(4-ethylphenoxy)-
- IUPAC
- 4-(4-ethylphenoxy)benzene-1,2-dicarbonitrile
Names & synonyms
4-(4-ethylphenoxy)benzene-1,2-dicarbonitrile1,2-Benzenedicarbonitrile, 4-(4-ethylphenoxy)-109702-53-6Oprea1_748002DTXSID30398245AKOS001028969NCGC00321775-01ST45155469AB01316769-02Z56823957
Database identifiers
- CAS
109702-53-6- PubChem CID
- 3960089
- DTXSID
DTXSID30398245
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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