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Molecule
Mercufenol Chloride
CAS: 90-03-9 · C6H5ClHgO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 90-03-9
- Molecular Formula
- C6H5ClHgO
- Molecular Mass
- 329.15 g/mol
Identifiers
CAS Registry Number
90-03-9
SMILES
Cl.[Hg+].[O-]c1[c]cccc1
InChI Key
GABVDWALKPAUEQ-UHFFFAOYSA-M
InChI
InChI=1S/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h1-4,7H;1H;/q;;+1/p-1
Names and Synonyms
- Mercufenol Chloride Synonym
- Mercury, chloro(2-hydroxyphenyl)- Synonym
- Mercury, chloro(o-hydroxyphenyl)- Synonym
- Phenol, o-(chloromercuri)- Synonym
- Chloro(2-hydroxyphenyl)mercury Synonym
- (o-Hydroxyphenyl)mercuric chloride Synonym
- o-Mercurihydroxyphenyl chloride Synonym
- (o-Hydroxyphenyl)mercury chloride Synonym
- o-(Chloromercurio)phenol Synonym
- o-(Chloromercuri)phenol Synonym
- NP-27 Synonym
- (2-Hydroxyphenyl)mercuric chloride Synonym
- Mercufenol chloride Synonym
- (2-Hydroxyphenyl)mercury chloride Synonym
- 2-(Chloromercurio)phenol Synonym
- Salicresin Fluid Synonym
- Myringacaine Drops Synonym
- U 7743 Synonym
- NSC 5579 Synonym
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 | |
| 332.171 g/mol | chempirical lib | |
| 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 |
| LogP | 0.97969 | RDKit |
| 0.9797 | RDKit | |
| 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 |
| Molar Refractivity | 31.971999999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 329.148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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 = 329.15 g/mol. Edit any field — others recompute live.
