Basic information
- CAS
484017-05-2- Standard SMILES
COC(=O)c1cc(=O)oc2ccc(Br)cc12- InChIKey
YUEZFEPTQUVBKG-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-1-benzopyran-4-carboxylate
- IUPAC
- methyl 6-bromo-2-oxochromene-4-carboxylate
Names & synonyms
484017-05-2DTXSID60573720Methyl 6-bromo-2-oxo-2H-1-benzopyran-4-carboxylateRefChem:356267DTXCID40524492Methyl 6-bromo-2-oxo-2H-chromene-4-carboxylatemethyl 6-bromo-2-oxo-2 h-chromene-4-carboxylate
Database identifiers
- CAS
484017-05-2- PubChem CID
- 15530846
- DTXSID
DTXSID60573720
Properties
Computed structural properties
- XLogP
- 2.2
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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