Basic information
- CAS
33544-16-0- Standard SMILES
NC(=O)c1cc(=O)c2cc(Cl)ccc2o1- InChIKey
CKWNAIFHYXTWGG-UHFFFAOYSA-N- Molecular formula
- C10H6ClNO3
- Average molar mass
- 223.61 g/mol
- Monoisotopic mass
- 223.0036207
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carboxamide, 6-chloro-4-oxo-
- IUPAC
- 6-chloro-4-oxochromene-2-carboxamide
Names & synonyms
6-chloro-4-oxo-4h-chromene-2-carboxamide4H-1-Benzopyran-2-carboxamide, 6-chloro-4-oxo-5463-89-86-Chloro-4-oxo-4H-1-benzopyran-2-carboxamide33544-16-0BRN 1376523SCHEMBL5191884DTXSID60187225AKOS005061965
Database identifiers
- CAS
33544-16-0- PubChem CID
- 214640
- DTXSID
DTXSID60187225
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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