Back to Search
Mercury, Hydroxyphenyl-, Mixt. With (Nitrato-Κo)Phenylmercury
CAS: 8003-05-2 | C12H11Hg2NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
8003-05-2
Molecular Formula:
C12H11Hg2NO4
Molecular Mass:
634.40 g/mol
Names and Synonyms:
Mercury, Hydroxyphenyl-, Mixt. With (Nitrato-Κo)Phenylmercury
Mercury, hydroxyphenyl-, mixt. with (nitrato-κO)phenylmercury
Mercury, hydroxyphenyl-, mixt. with (nitrato-O)phenylmercury
Mercury, (nitrato-O)phenyl-, mixt. contg.
Mercury, (nitrato-κO)phenyl-, mixt. contg.
DZ
Gyne-merfen
Merfen-styli
Phenylmercuric nitrate, basic
NSC 2110
Identifiers:
SMILES:
O=[N+]([O-])[O-].[Hg+].[Hg+].[OH-].[c]1ccccc1.[c]1ccccc1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 634.40 g/mol | CAS Common Chemistry |
| 634.403 g/mol | RDKit | |
| 637.0100938319999 g/mol | RDKit | |
| 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 |
| 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 |
| Molar Refractivity | 62.85320000000004 | RDKit |
