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6-Amino-N-oxidocyclohexa-1,4,5-trien-1-ylium-3-imine N-oxide--mercury--water (1/2/2)

HCID 45635
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Basic information

CAS
63951-09-7
Standard SMILES
Nc1[c]([Hg])cc([N+](=O)[O-])c[c]1[Hg].O.O
InChIKey
QTQFNYJRPUBEED-UHFFFAOYSA-N
Molecular formula
C6H8Hg2N2O4
Average molar mass
573.32 g/mol
Monoisotopic mass
575.98969

Names & identifiers

Preferred name
6-Amino-N-oxidocyclohexa-1,4,5-trien-1-ylium-3-imine N-oxide--mercury--water (1/2/2)
IUPAC
(2-amino-3-mercurio-5-nitrophenyl)mercury;dihydrate
English name
4-Nitro-2,6-bis[hydroxymercurio(II)]aniline
Molecular formula
C6H6Hg2N2O4
Molecular weight
571.3

Names & synonyms

63951-09-7RefChem:1073806DTXSID00981300DTXCID2014085726-Amino-N-oxidocyclohexa-1,4,5-trien-1-ylium-3-imine N-oxide--mercury--water (1/2/2)2,6-Bis(hydroxymercuri)-4-nitroanilineANILINE, 2,6-BIS(HYDROXYMERCURI)-4-NITRO-4-Nitro-2,6-bis[hydroxymercurio(II)]aniline

Database identifiers

CAS
63951-09-7
PubChem CID
45635
DTXSID
DTXSID00981300

Properties

Computed structural properties

Topological polar surface area
73.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
177

Physicochemical properties

Boiling point
135.1 °C · 135.1°C

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Compound notes

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