6,7-Bis(bromomethyl)-5,8-dioxo-5,8-dihydronaphthalene-1,4-diyl dibenzoate
Basic information
- CAS
57999-00-5- Standard SMILES
O=C(Oc1ccc(OC(=O)c2ccccc2)c2c1C(=O)C(CBr)=C(CBr)C2=O)c1ccccc1- InChIKey
TVOWHMMNQGFWOW-UHFFFAOYSA-N- Molecular formula
- C26H16Br2O6
- Average molar mass
- 584.2 g/mol
- Monoisotopic mass
- 581.93136
Names & identifiers
- Preferred name
- 6,7-Bis(bromomethyl)-5,8-dioxo-5,8-dihydronaphthalene-1,4-diyl dibenzoate
- IUPAC
- [4-benzoyloxy-6,7-bis(bromomethyl)-5,8-dioxonaphthalen-1-yl] benzoate
Names & synonyms
57999-00-5NSC234294DTXSID403109186,7-Bis(bromomethyl)-5,8-dioxo-5,8-dihydronaphthalene-1,4-diyl dibenzoateNSC-234294
Database identifiers
- CAS
57999-00-5- PubChem CID
- 314739
- DTXSID
DTXSID40310918
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 772
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Compound notes
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