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Chlorquinaldol
CAS: 72-80-0 | C10H7Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
72-80-0
Molecular Formula:
C10H7Cl2NO
Molecular Mass:
228.08 g/mol
Names and Synonyms:
Chlorquinaldol
8-Quinolinol, 5,7-dichloro-2-methyl-
5,7-Dichloro-2-methyl-8-quinolinol
Chlorquinaldol
5,7-Dichloro-8-hydroxyquinaldine
5,7-Dichloro-2-methyl-8-hydroxyquinoline
5,7-Dichloro-8-quinaldinol
Gyno-Sterosan
Siogene
Siosteran
Sterosan
Steroxin
Saprosan
Siogen
Siogeno
Siogenon
Chlorchinaldol
Afungil
Siogenal
Sterozan
Vagisteran
Chloquinan
Siosept
Florabina
Chlorguinaldon
Chlorchinaldin
Acnosan
5,7-Dichloro-8-hydroxy-2-methylquinoline
Hydroxydichloroquinaldinol
Gynotherax
Quesil
5,7-Dichloro-2-styrylquinoline
Identifiers:
SMILES:
Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
InChI:
InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
Key Properties
Melting Point
114.5 °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 | 228.08 g/mol | CAS Common Chemistry |
| 228.078 g/mol | RDKit | |
| 226.990469204 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorquinaldol | CAS Common Chemistry |
| Canonical SMILES | ClC=1C=C(Cl)C=2C=CC(=NC2C1O)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GPTXWRGISTZRIO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114.5 °C | CAS Common Chemistry |
| Name | Chlorquinaldol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| LogP | 3.5556200000000016 | RDKit |
| Molar Refractivity | 58.16480000000002 | RDKit |
