Pigment Red 177
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CAS Number 4051-63-2
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Catalog Number io-406842
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Molecular Weight 444.4000
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SMILES C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)C4=C5C(=C(C=C4)N)C(=O)C6=CC=CC=C6C5=O
| Size | QTY | Notes | |
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| 1 | EINECS 223-754-4 |
| 2 | UNII-66S4IFF43R |
| 3 | 66S4IFF43R |
| 4 | (1,1'-Bianthracene)-9,9',10,10'-tetrone, 4,4'-diamino- |
| 5 | C.I. 65300 |
| Molecular Formula | C28H16N2O4 |
|---|---|
| Canonical SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)C4=C5C(=C(C=C4)N)C(=O)C6=CC=CC=C6C5=O |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)C4=C5C(=C(C=C4)N)C(=O)C6=CC=CC=C6C5=O |
| Molecular Weight | 444.4000 |
| InChIKey | KNMQFBWXSICVQC-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H16N2O4/c29-19-11-9-13(21-23(19)27(33)17-7-3-1-5-15(17)25(21)31)14-10-12-20(30)24-22(14)26(32)16-6-2-4-8-18(16)28(24)34/h1-12H,29-30H2 |
| XLogP | 5.2000 |
| ExactMass | 444.1110 |
| MonoisotopicMass | 444.1110 |
| TPSA | 120.0000 |
| Complexity | 829.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 34 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 284 |
| PatentFamilyCount | 134 |
| LiteratureCount | 11 |
