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Pigment Red 202
CAS: 3089-17-6 | C20H10Cl2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3089-17-6
Molecular Formula:
C20H10Cl2N2O2
Molecular Weight:
381.2180000000001 g/mol
Names and Synonyms:
Pigment Red 202
Quino[2,3-b]acridine-7,14-dione, 2,9-dichloro-5,12-dihydro-
RV 6853
2,9-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione
2,9-Dichloroquinacridone
C.I. Pigment Red 202
Cinquasia Magenta RT 235D
Pigment Red 202
C.I. 73907
Cinquasia Magenta RT 343D
Monastral Magenta RT 343D
Fastogen Super Magenta HS 01
Sunfast Magenta Presscake 202
Sunfast Magenta 202
Cinquasia Magenta TR 235-6
Cinquasia Magenta B-RT 343D
Monastral Magenta RT 243D
Quinacridone Magenta B
Monastral Magenta B
Cinquasia Magenta L-RT 265D
Magenta RT 235D
Cinquasia Magenta RT 265D
Cinquasia Red RT 343D
RT 343D
Monastral RT 891
Cromophtal Red RT 355
Magenta R 6713
Quindo Magenta RV 6843
Sunfast 228-6275
Microlith Magenta 5B-K
Quindo Magenta RV 6853
PR 202
Sunfast Magenta 228-1215
Cinquasia Magenda RT 343D
Quindo Magenta RV 6825
Cinquasia Magenta RT 243D
Quindo Magenta 202-228-6843
Quindo Magenta 228-6843
Cromophtal Jet 2BC
Cinquasia Magenta L 4530
Quindo Magenta 228-6863
Dymic SZ 7129
Cinquasia Magenta D 4535
Cinquasia K 4535
Cinquasia Magenta K 4535
2,9-Dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Identifiers:
SMILES:
O=c1c2cc(Cl)ccc2[nH]c2cc3c(=O)c4cc(Cl)ccc4[nH]c3cc12
InChI:
InChI=1S/C20H10Cl2N2O2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-8H,(H,23,25)(H,24,26)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 381.22 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C2=CC(Cl)=CC=C2NC3=CC=4C(=O)C5=CC(Cl)=CC=C5NC4C=C13 None | Legacy Database |
| cas-inchi | InChI=1S/C20H10Cl2N2O2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-8H,(H,23,25)(H,24,26) None | Legacy Database |
| cas-inchi-key | InChIKey=XPZQBGDNVOHQIS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Red 202 None | Legacy Database |
| LogP | 4.982800000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 381.2180000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 380.01193292000005 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 26 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 5 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 65.72 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 107.7274 | RDKit |
