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[2,7-dibromo-9-(2-carboxyphenyl)-6-hydroxy-3-oxo-3H-xanthen-5-yl](hydroxy)mercury

HCID 413457
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
4386-92-9
Standard SMILES
O.O=C(O)c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2[c]([Hg])c(O)c(Br)cc12
InChIKey
NDMVPGYBWSZHHS-UHFFFAOYSA-N
Molecular formula
C20H11Br2HgO6
Average molar mass
707.7 g/mol
Monoisotopic mass
706.86288

Overview

2,7-dibromo-4-hydroxymercurifluorescein is a xanthene dye that is fluorescein bearing bromine substituents at positions 2 and 7 as well as a hydroxymercurio substituent at position 4. It has a role as an antiseptic drug, a fluorochrome and a histological dye. It is an arylmercury compound, a member of benzoic acids, an organobromine compound and a xanthene dye. It is functionally related to a fluorescein (lactone form). It is a conjugate acid of a 2,7-dibromo-4-hydroxymercurifluorescein(2-).

Names & identifiers

Preferred name
[2,7-dibromo-9-(2-carboxyphenyl)-6-hydroxy-3-oxo-3H-xanthen-5-yl](hydroxy)mercury
IUPAC
[2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]mercury;hydrate

Names & synonyms

[2,7-dibromo-9-(2-carboxyphenyl)-6-hydroxy-3-oxo-3H-xanthen-5-yl](hydroxy)mercurySpectrum_000510Prestwick0_000787Prestwick1_000787Prestwick2_000787Spectrum2_000633Spectrum3_000274Spectrum4_000400Spectrum5_001620BSPBio_001748KBioGR_000959KBioSS_000990
Show more names
DivK1c_000415SPBio_000626SPBio_002833CHEBI:90221KBio1_000415KBio2_000990KBio2_003558KBio2_006126

Database identifiers

CAS
4386-92-9
PubChem CID
413457
DTXSID
DTXSID601015070
ChEBI
CHEBI:90221

Properties

Computed structural properties

Topological polar surface area
84.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Formal charge
0
Complexity
807

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Compound notes

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