methyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
Basic information
- CAS
91635-21-1- Standard SMILES
COC(=O)c1cc2cc(Br)ccc2oc1=O- InChIKey
CSJHGVIKEOYMML-UHFFFAOYSA-N- Molecular formula
- C11H7BrO4
- Average molar mass
- 283.07 g/mol
- Monoisotopic mass
- 281.95277
Names & identifiers
- Preferred name
- methyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
- IUPAC
- methyl 6-bromo-2-oxochromene-3-carboxylate
- English name
- 2H-1-Benzopyran-3-carboxylic acid, 6-bromo-2-oxo-, methyl ester
- Molecular formula
- C11H7BrO4
- Molecular weight
- 283.07
Names & synonyms
methyl 6-bromo-2-oxo-2H-chromene-3-carboxylate91635-21-1DTXSID40397128RefChem:356268DTXCID00347987methyl 6-bromo-2-oxochromene-3-carboxylate2H-1-Benzopyran-3-carboxylic acid, 6-bromo-2-oxo-, methyl esterMethyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylateChemDiv3_000303SCHEMBL1808756HMS1473N17MFCD00488483
Show more names
STL134800AKOS003616238IDI1_019621NCGC00176288-01SY301778EU-0000370SR-01000391455SR-01000391455-1
Database identifiers
- CAS
91635-21-1- PubChem CID
- 3837862
- DTXSID
DTXSID40397128- Nikkaji
- J645.476C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 151 · 151-152 °C(Solv: ethanol (64-17-5))
- Boiling point
- 418.9 · 418.9±45.0 °C(Predicted)
- Density
- 1.676 · 1.676±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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