ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate
Basic information
- CAS
40448-88-2- Standard SMILES
CCOC(=O)N1c2ccc(Cl)cc2C=CC1C#N- InChIKey
CKQUGJCOKOFAMD-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O2
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0509053
Names & identifiers
- Preferred name
- ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate
- IUPAC
- ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate
Names & synonyms
40448-88-2ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylateNSC166144DTXSID30304523NSC-166144ethyl 6-chloro-2-cyanoquinoline-1(2H)-carboxylate
Database identifiers
- CAS
40448-88-2- PubChem CID
- 296227
- DTXSID
DTXSID30304523
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 401
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…