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Molecule
Mercury, Hydroxyphenyl-, Mixt. With (Nitrato-Κo)Phenylmercury
CAS: 8003-05-2 · C12H11Hg2NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 8003-05-2
- Molecular Formula
- C12H11Hg2NO4
- Molecular Mass
- 634.403 g/mol
Identifiers
CAS Registry Number
8003-05-2
SMILES
O=[N+]([O-])[O-].[Hg+].[Hg+].[OH-].[c]1ccccc1.[c]1ccccc1
InChI Key
DQZCXZOUXZTNCU-UHFFFAOYSA-M
InChI
InChI=1S/2C6H5.2Hg.NO3.H2O/c2*1-2-4-6-5-3-1;;;2-1(3)4;/h2*1-5H;;;;1H2/q;;2*+1;-1;/p-1
Names and Synonyms
- Mercury, Hydroxyphenyl-, Mixt. With (Nitrato-Κo)Phenylmercury Synonym
- Mercury, hydroxyphenyl-, mixt. with (nitrato-κO)phenylmercury Synonym
- Mercury, hydroxyphenyl-, mixt. with (nitrato-O)phenylmercury Synonym
- Mercury, (nitrato-O)phenyl-, mixt. contg. Synonym
- Mercury, (nitrato-κO)phenyl-, mixt. contg. Synonym
- DZ Synonym
- Gyne-merfen Synonym
- Merfen-styli Synonym
- Phenylmercuric nitrate, basic Synonym
- NSC 2110 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O=N(=O)O[Hg]C=1C=CC=CC1.O[Hg]C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/2C6H5.2Hg.NO3.H2O/c2*1-2-4-6-5-3-1;;;2-1(3)4;/h2*1-5H;;;;1H2/q;;2*+1;-1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=DQZCXZOUXZTNCU-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Mercury, hydroxyphenyl-, mixt. with (nitrato-κO)phenylmercury | CAS Common Chemistry |
| Molecular Mass | 634.403 g/mol | RDKit |
| 637.0100938319999 g/mol | RDKit | |
| 640.455 g/mol | chempirical lib | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 96.2 Ų | RDKit |
| LogP | 2.5526800000000005 | RDKit |
| 2.5527 | RDKit | |
| Molar Refractivity | 62.85320000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 634.40 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 634.40 g/mol. Edit any field — others recompute live.
