2,5,8-Trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
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CAS Number 6710-92-5
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Catalog Number io-406887
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Molecular Weight 276.5000
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SMILES
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| 1 | 2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene |
| 2 | RefChem:444065 |
| 3 | 2,5,8-Trichloro-1,3,3a1,4,6,7,9-heptaazaphenalene |
| 4 | 1,3,4,6,7,9,9b-Heptaazaphenalene, 2,5,8-trichloro- |
| 5 | MFCD21606995 |
| Molecular Formula | C6Cl3N7 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 276.5000 |
| InChIKey | XQCSSANETDMLMF-UHFFFAOYSA-N |
| InChI | InChI=1S/C6Cl3N7/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6 |
| XLogP | 3.2000 |
| ExactMass | 274.9281 |
| MonoisotopicMass | 274.9281 |
| TPSA | 77.4000 |
| Complexity | 441.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 16 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 19 |
| PatentFamilyCount | 8 |
| LiteratureCount | 4 |
