merbromin
[2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]mercury;hydrate
Also Known As: merbromin|Spectrum_000510|Prestwick0_000787|Prestwick1_000787|Prestwick2_000787|Spectrum2_000633|Spectrum3_000274|Spectrum4_000400|Spectrum5_001620|BSPBio_001748|KBioGR_000959|KBioSS_000990|DivK1c_000415|SPBio_000626|SPBio_002833|KBio1_000415|KBio2_000990|KBio2_003558|KBio2_006126|KBio3_001248|2,7-dibromo-4-hydroxymercurifluorescein|IDI1_000415|BRD-K21771665-304-04-2|[2,7-dibromo-9-(2-carboxyphenyl)-6-hydroxy-3-oxo-3H-xanthen-5-yl](hydroxy)mercury|[2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]mercury;hydrate|[2,7-Dibromo-9-(2-carboxyphenyl)-6-hydroxy-3-oxo-3H-xanthen-4-yl](hydroxido)mercury|[2,7-Dibromo-9-(2-carboxyphenyl)-6-hydroxy-3-oxo-3H-xanthen-4-yl](hydroxy)mercury
| Molecular Formula | C20H11Br2HgO6 |
|---|---|
| Molecular Weight | 706.86285 g/mol |
| LogP | 3.841 |
| Topological Polar Surface Area | 84.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 706.86285 |
| Monoisotopic Mass | 706.86285 |
| Heavy Atoms | 29 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 4386-92-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)O)[Hg])Br)C(=O)O.O |
| InChIKey | NDMVPGYBWSZHHS-UHFFFAOYSA-N |
Product Overview
merbromin (CAS 4386-92-9), with molecular formula C20H11Br2HgO6 and molecular weight 706.86285 g/mol. IUPAC: [2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]mercury;hydrate.
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