3-Bromo-6-(bromomethyl)-4-methoxy-2H-pyran-2-one
Basic information
- CAS
81960-53-4- Standard SMILES
COc1cc(CBr)oc(=O)c1Br- InChIKey
PAIDJOOJGIGMGJ-UHFFFAOYSA-N- Molecular formula
- C7H6Br2O3
- Average molar mass
- 297.93 g/mol
- Monoisotopic mass
- 295.86837
Names & identifiers
- Preferred name
- 3-Bromo-6-(bromomethyl)-4-methoxy-2H-pyran-2-one
- IUPAC
- 3-bromo-6-(bromomethyl)-4-methoxypyran-2-one
Names & synonyms
81960-53-43-Bromo-6-(bromomethyl)-4-methoxy-2H-pyran-2-oneDTXSID60513368RefChem:277633DTXCID70464175
Database identifiers
- CAS
81960-53-4- PubChem CID
- 12934985
- DTXSID
DTXSID60513368
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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