Basic information
- CAS
1920-54-3- Standard SMILES
O=c1cc(-c2cccnc2)oc2ccc(Cl)cc12- InChIKey
VRVLDMZMQZYPDM-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO2
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0243562
Names & identifiers
- Preferred name
- 6-Chloro-2-pyridin-3-ylchromen-4-one
- IUPAC
- 6-chloro-2-pyridin-3-ylchromen-4-one
Names & synonyms
1920-54-3NSC73608DTXSID20940838NSC-736086-Chloro-2-(pyridin-3-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
1920-54-3- PubChem CID
- 252243
- DTXSID
DTXSID20940838
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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