8-bromo-6-methyl-4-oxo-4H-chromene-3-carbaldehyde
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Basic information
- CAS
879559-55-4- Standard SMILES
Cc1cc(Br)c2occ(C=O)c(=O)c2c1- InChIKey
VGVYSTVFILNSRJ-UHFFFAOYSA-N- Molecular formula
- C11H7BrO3
- Average molar mass
- 267.07 g/mol
- Monoisotopic mass
- 265.95786
Names & identifiers
- Preferred name
- 8-bromo-6-methyl-4-oxo-4H-chromene-3-carbaldehyde
- IUPAC
- 8-bromo-6-methyl-4-oxochromene-3-carbaldehyde
- English name
- 8-bromo-6-methyl-4-oxo-4H-chromene-3-carbaldehyde
- Molecular formula
- C11H7BrO3
- Molecular weight
- 267.08
Names & synonyms
8-bromo-6-methyl-4-oxo-4H-chromene-3-carbaldehyde879559-55-48-bromo-6-methyl-4-oxochromene-3-carbaldehydeSCHEMBL23887130DTXSID80649299AKOS005171824DB-3696728-Bromo-6-methyl-4-oxo-4H-1-benzopyran-3-carbaldehyde4H-1-Benzopyran-3-carboxaldehyde, 8-bromo-6-methyl-4-oxo-
Database identifiers
- CAS
879559-55-4- PubChem CID
- 25220106
- DTXSID
DTXSID80649299
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 144 · 144-145 °C
- Boiling point
- 398.1 · 398.1±42.0 °C(Predicted)
- Density
- 1.732 · 1.732±0.06 g/cm3(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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