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6,9-Dichloro-2-Methoxyacridine
CAS: 86-38-4 | C14H9Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86-38-4
Molecular Formula:
C14H9Cl2NO
Molecular Mass:
278.14 g/mol
Names and Synonyms:
6,9-Dichloro-2-Methoxyacridine
Acridine, 6,9-dichloro-2-methoxy-
6,9-Dichloro-2-methoxyacridine
Halocrin
Halocrine
2-Methoxy-6,9-dichloroacridine
3,9-Dichloro-7-methoxyacridine
NSC 2095
NSC 2951
Identifiers:
SMILES:
COc1ccc2nc3cc(Cl)ccc3c(Cl)c2c1
InChI:
InChI=1S/C14H9Cl2NO/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3
Key Properties
Melting Point
160-161 °C
CAS Common Chemistry
Density
1.52 g/cm³
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 | 278.14 g/mol | CAS Common Chemistry |
| 278.13800000000003 g/mol | RDKit | |
| 277.006119268 g/mol | RDKit | |
| Density | 1.52 g/cm³ | CAS Common Chemistry |
| 1.52 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | ClC=1C=CC=2C(=NC=3C=CC(OC)=CC3C2Cl)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H9Cl2NO/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RYRNQWYNHLLOGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160-161 °C | CAS Common Chemistry |
| Name | 6,9-Dichloro-2-methoxyacridine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 22.12 Ų | RDKit |
| LogP | 4.703400000000002 | RDKit |
| Molar Refractivity | 75.82100000000003 | RDKit |
