2-[(5-Chloro-2-methylquinolin-8-yl)oxy]propanenitrile
Basic information
- CAS
88757-45-3- Standard SMILES
Cc1ccc2c(Cl)ccc(OC(C)C#N)c2n1- InChIKey
YESGILNHLRDVLM-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0559907
Names & identifiers
- Preferred name
- 2-[(5-Chloro-2-methylquinolin-8-yl)oxy]propanenitrile
- IUPAC
- 2-(5-chloro-2-methylquinolin-8-yl)oxypropanenitrile
Names & synonyms
88757-45-3DTXSID207499842-[(5-Chloro-2-methylquinolin-8-yl)oxy]propanenitrile
Database identifiers
- CAS
88757-45-3- PubChem CID
- 71320002
- DTXSID
DTXSID20749984
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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