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Phenylmercuric Nitrate
CAS: 55-68-5 | C6H5HgNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55-68-5
Molecular Formula:
C6H5HgNO3
Molecular Mass:
339.70 g/mol
Names and Synonyms:
Phenylmercuric Nitrate
Mercury, (nitrato-κO)phenyl-
Mercury, nitratophenyl-
Mercury, (nitrato-O)phenyl-
Phenylmercury nitrate
(Nitrato-κO)phenylmercury
Merphenyl nitrate
Mersolite 7
Phe-Mer-Nite
Phenalco
Phenitol
Phenmerzyl nitrate
Phenylmercuric nitrate
Phenylmercurinitrate
Nitratophenylmercury
Phenylmercury (II) nitrate
NSC 4772
Identifiers:
SMILES:
O=[N+]([O-])[O-].[Hg+].[c]1ccccc1
InChI:
InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1
Key Properties
Melting Point
176-186 °C
CAS Common Chemistry
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 | 339.70 g/mol | CAS Common Chemistry |
| 339.70000000000005 g/mol | RDKit | |
| 340.99758602 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenylmercuric_nitrate | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)O[Hg]C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=PDTFCHSETJBPTR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176-186 °C | CAS Common Chemistry |
| Name | (Nitrato-κO)phenylmercury | CAS Common Chemistry |
| Phenylmercuric nitrate | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.2 Ų | RDKit |
| LogP | 1.2451899999999998 | RDKit |
| Molar Refractivity | 35.63940000000001 | RDKit |
