1-Amino-2,4-dibromoanthraquinone
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CAS Number 81-49-2
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Catalog Number io-1691
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Classification Amines
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Molecular Weight 381.0200
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SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N
| Size | QTY | Notes | |
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1-Amino-2,4-dibromoanthraquinone can cause cancer according to The National Toxicology Program.
| 1 | 1-AMINO-2,4-DIBROMOANTHRAQUINONE |
| 2 | 1-amino-2,4-dibromoanthracene-9,10-dione |
| 3 | Dibromoaminoanthraquinone |
| 4 | 2,4-Dibromo-1-anthraquinonylamine |
| 5 | 9,10-Anthracenedione, 1-amino-2,4-dibromo- |
| Molecular Formula | C14H7Br2NO2 |
|---|---|
| Canonical SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N |
| Molecular Weight | 381.0200 |
| InChIKey | ZINRVIQBCHAZMM-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2 |
| XLogP | 4.1000 |
| ExactMass | 380.8823 |
| MonoisotopicMass | 378.8844 |
| TPSA | 60.2000 |
| Complexity | 414.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 19 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 417 |
| PatentFamilyCount | 239 |
| LiteratureCount | 59 |
