Basic information
- CAS
39843-61-3- Standard SMILES
COc1ccc(OC)c(-n2cccc2C#N)c1- InChIKey
SGNWRSBWQCZLHW-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)pyrrole-2-carbonitrile
- IUPAC
- 1-(2,5-dimethoxyphenyl)pyrrole-2-carbonitrile
Names & synonyms
39843-61-31-(2,5-dimethoxyphenyl)pyrrole-2-carbonitrileNSC184851DTXSID20306995NSC-1848511-(2,5-Dimethoxyphenyl)-1H-pyrrole-2-carbonitrile
Database identifiers
- CAS
39843-61-3- PubChem CID
- 302181
- DTXSID
DTXSID20306995
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 47.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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