Molecule:100932: Difference between revisions
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molecule
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|moleculeKey=MSSQDESMUMSQEN-UHFFFAOYSA-N | |moleculeKey=MSSQDESMUMSQEN-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
RDKit 2D | |||
0 0 0 0 0 0 0 0 0 | 0 0 0 0 0 0 0 0 0 0999 V3000 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS 19 21 0 0 0 | M V30 COUNTS 19 21 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C 4. | M V30 1 C 4.13485 -3.75007 0 0 | ||
M V30 2 C 5. | M V30 2 C 5.86515 -3.74959 0 0 | ||
M V30 3 C 5. | M V30 3 C 5.00164 -3.24997 0 0 | ||
M V30 4 C 5. | M V30 4 C 5.86515 -4.75053 0 0 | ||
M V30 5 C 4. | M V30 5 C 4.13485 -4.75502 0 0 | ||
M V30 6 C 5. | M V30 6 C 5.00382 -5.25003 0 0 | ||
M V30 7 C 6. | M V30 7 C 6.73201 -5.25103 0 0 | ||
M V30 8 C 7. | M V30 8 C 7.59886 -4.75058 0 0 | ||
M V30 9 C 7. | M V30 9 C 7.59886 -3.74963 0 0 | ||
M V30 10 C 6. | M V30 10 C 6.73201 -3.24914 0 0 | ||
M V30 11 O 6. | M V30 11 O 6.73202 -2.24914 0 0 | ||
M V30 12 O 6. | M V30 12 O 6.73201 -6.25103 0 0 | ||
M V30 13 C 8. | M V30 13 C 8.46336 -3.25126 0 0 | ||
M V30 14 C 9. | M V30 14 C 9.33054 -3.75159 0 0 | ||
M V30 15 C 8. | M V30 15 C 8.46951 -5.25291 0 0 | ||
M V30 16 C 9. | M V30 16 C 9.33274 -4.7475 0 0 | ||
M V30 17 N 8. | M V30 17 N 8.46353 -2.25126 0 0 | ||
M V30 18 Br 10. | M V30 18 Br 10.1959 -3.25051 0 0 | ||
M V30 19 O 8. | M V30 19 O 8.4727 -6.25291 0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
M V30 1 | M V30 1 4 3 1 | ||
M V30 2 | M V30 2 4 4 2 | ||
M V30 3 | M V30 3 4 1 5 | ||
M V30 4 | M V30 4 4 2 3 | ||
M V30 5 | M V30 5 4 5 6 | ||
M V30 6 | M V30 6 4 6 4 | ||
M V30 7 1 4 7 | M V30 7 1 4 7 | ||
M V30 8 1 7 8 | M V30 8 1 7 8 | ||
M V30 9 | M V30 9 4 8 9 | ||
M V30 10 1 9 10 | M V30 10 1 9 10 | ||
M V30 11 1 10 2 | M V30 11 1 10 2 | ||
M V30 12 2 10 11 | M V30 12 2 10 11 | ||
M V30 13 2 7 12 | M V30 13 2 7 12 | ||
M V30 14 | M V30 14 4 14 13 | ||
M V30 15 | M V30 15 4 8 15 | ||
M V30 16 | M V30 16 4 13 9 | ||
M V30 17 | M V30 17 4 15 16 | ||
M V30 18 | M V30 18 4 16 14 | ||
M V30 19 1 13 17 | M V30 19 1 13 17 | ||
M V30 20 1 14 18 | M V30 20 1 14 18 | ||
| Line 64: | Line 64: | ||
M END | M END | ||
|smiles= | |smiles=Nc1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O | ||
|inchi=1S/C14H8BrNO3/c15-8-5-9(17)10-11(12(8)16)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2 | |inchi=InChI=1S/C14H8BrNO3/c15-8-5-9(17)10-11(12(8)16)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2 | ||
|inchikey=MSSQDESMUMSQEN-UHFFFAOYSA-N | |inchikey=MSSQDESMUMSQEN-UHFFFAOYSA-N | ||
|width=200 | |width=200 | ||
Latest revision as of 17:18, 10 March 2025
| Properties | |
|---|---|
| CID | 8320 |
| CAS | 116-82-5 |
| IUPAC-Name | 1-azanyl-2-bromanyl-4-oxidanyl-anthracene-9,10-dione |
| Abbreviation | n/a |
| Trivialname | 1-Amino-2-bromo-4-hydroxyanthraquinone |
| Exact mass | 316.96876 |
| Molecular formula | C14H8BrNO3 |
| LogP | n/a |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | 1-Amino-2-bromo-4-hydroxyanthraquinone, Disperse Violet 17, 1-amino-2-bromo-4-hydroxyanthracene-9,10-dione, 1-Amino-2-bromo-4-hydroxy anthraquinone, 1-Amino-2-bromo-4-hydroxyanthrachinon, 9,10-Anthracenedione, 1-amino-2-bromo-4-hydroxy-, 1-Amino-2-bromo-4-hydroxy-9,10-anthraquinone, 1-Amino-2-brom-4-hydroxyanthrachinon, Anthraquinone, 1-amino-2-bromo-4-hydroxy-, 1-AMINO-2-BROMO-4-HYDROXY-9,10-ANTHRACENEDIONE |
1-Amino-2-bromo-4-hydroxyanthraquinone
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Belongs to molecule collection: Molecule collection 100929
The molecule template was defined here: Photocatalytic CO2 reduction with aminoanthraquinone organic dyes
Molecule is used on following pages
topic
publication
investigation
- Photocatalytic CO2 reduction with aminoanthraquinone organic dyes/Photocatalytic reduction of CO2 with different photosensitizers
- Photocatalytic CO2 reduction with aminoanthraquinone organic dyes/Photocatalytic CO2 reduction with varying concentrations of cat and PS
Molecule roles
| Investigation type | Photosensitizer |
|---|---|
| Photocatalytic CO2 conversion experiments |
|
| Cyclic Voltammetry experiments |  |
| Absorption Emission Spectroscopy experiments | |
