Basic information
- CAS
5207-36-3- Standard SMILES
CCCNc1c(OCC)c(=O)oc2ccc(Cl)cc12- InChIKey
AHXIEEZTUMDOPA-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO3
- Average molar mass
- 281.73 g/mol
- Monoisotopic mass
- 281.0818711
Names & identifiers
- Preferred name
- 6-Chloro-3-ethoxy-4-(propylamino)chromen-2-one
- IUPAC
- 6-chloro-3-ethoxy-4-(propylamino)chromen-2-one
Names & synonyms
5207-36-36-chloro-3-ethoxy-4-(propylamino)chromen-2-oneNSC171760DTXSID50305835NSC-1717606-Chloro-3-ethoxy-4-(propylamino)-2H-1-benzopyran-2-one
Database identifiers
- CAS
5207-36-3- PubChem CID
- 299289
- DTXSID
DTXSID50305835
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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