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Mercufenol Chloride
CAS: 90-03-9 | C6H5ClHgO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-03-9
Molecular Formula:
C6H5ClHgO
Molecular Mass:
329.15 g/mol
Names and Synonyms:
Mercufenol Chloride
Mercury, chloro(2-hydroxyphenyl)-
Mercury, chloro(o-hydroxyphenyl)-
Phenol, o-(chloromercuri)-
Chloro(2-hydroxyphenyl)mercury
(o-Hydroxyphenyl)mercuric chloride
o-Mercurihydroxyphenyl chloride
(o-Hydroxyphenyl)mercury chloride
o-(Chloromercurio)phenol
o-(Chloromercuri)phenol
NP-27
(2-Hydroxyphenyl)mercuric chloride
Mercufenol chloride
(2-Hydroxyphenyl)mercury chloride
2-(Chloromercurio)phenol
Salicresin Fluid
Myringacaine Drops
U 7743
NSC 5579
Identifiers:
SMILES:
Cl.[Hg+].[O-]c1[c]cccc1
InChI:
InChI=1S/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h1-4,7H;1H;/q;;+1/p-1
Key Properties
Melting Point
151 °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 | 329.15 g/mol | CAS Common Chemistry |
| 329.1480000000001 g/mol | RDKit | |
| 329.97353546 g/mol | RDKit | |
| Canonical SMILES | Cl[Hg]C=1C=CC=CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h1-4,7H;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=GABVDWALKPAUEQ-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 151 °C | CAS Common Chemistry |
| Name | Mercufenol chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.06 Ų | RDKit |
| LogP | 0.97969 | RDKit |
| Molar Refractivity | 31.971999999999998 | RDKit |
