Basic information
- CAS
791740-26-6- Standard SMILES
O=C1OC2(c3cc(Br)c(O)cc3Oc3c2cc(Br)c(O)[c]3[Hg+])c2ccccc21- InChIKey
MWYPSCPMURJPPE-UHFFFAOYSA-N- Molecular formula
- C20H9Br2HgO5+
- Average molar mass
- 689.7 g/mol
- Monoisotopic mass
- 688.85176701
Names & identifiers
- Preferred name
- Merbromin cation
- IUPAC
- (2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl)mercury(1+)
Names & synonyms
Merbromin cationUNII-58L0ARN50R58L0ARN50R791740-26-6Mercury, (2',7'-dibromo-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-4'-yl)-RefChem:156548DTXSID701334281Q27261603(2',7'-Dibromo-3',6'-dihydroxy-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-4'-yl)mercury(1+)
Database identifiers
- CAS
791740-26-6- PubChem CID
- 13504271
- DTXSID
DTXSID701334281- UNII
- 58L0ARN50R
Properties
Computed structural properties
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 1
- Complexity
- 652
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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