4H-1-Benzopyran-2-carboxamide, 6-bromo-4-oxo-
Basic information
- CAS
33544-19-3- Standard SMILES
NC(=O)c1cc(=O)c2cc(Br)ccc2o1- InChIKey
KPKDODIBNVVHBG-UHFFFAOYSA-N- Molecular formula
- C10H6BrNO3
- Average molar mass
- 268.06 g/mol
- Monoisotopic mass
- 266.95311
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carboxamide, 6-bromo-4-oxo-
- IUPAC
- 6-bromo-4-oxochromene-2-carboxamide
Names & synonyms
4H-1-Benzopyran-2-carboxamide, 6-bromo-4-oxo-33544-19-36-bromo-4-oxo-4h-chromene-2-carboxamide6-Bromo-4-oxo-4H-1-benzopyran-2-carboxamideBRN 1376526SCHEMBL8117853DTXSID80187227AKOS005061974AK-820/13218018
Database identifiers
- CAS
33544-19-3- PubChem CID
- 214643
- DTXSID
DTXSID80187227
Properties
Computed structural properties
- XLogP
- 1.7
- 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
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Compound notes
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