2-Bromo-naphtho[2,3-b]furan-4,9-dione
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Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)c2oc(Br)cc21- InChIKey
TWHCOSZEYZCNSM-UHFFFAOYSA-N- Molecular formula
- C12H5BrO3
- Average molar mass
- 277.07 g/mol
- Monoisotopic mass
- 275.94221
Names & identifiers
- Preferred name
- 2-Bromo-naphtho[2,3-b]furan-4,9-dione
- IUPAC
- 2-bromobenzo[f][1]benzofuran-4,9-dione
Names & synonyms
2-bromo-naphtho[2,3-b]furan-4,9-dioneNSC701985SCHEMBL28705CHEMBL1981015Naphtho[2,9-dione, 2-bromo-TWHCOSZEYZCNSM-UHFFFAOYSA-NNSC-701985NCI60_036541
Database identifiers
- PubChem CID
- 396287
- ChEMBL
CHEMBL1981015- Nikkaji
- J829.272H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 341
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Related reactions
4 records
Compound notes
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