2',4',6'-Trifluoro-5'-(4-formylphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarbaldehyde
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CAS Number 2088007-05-8
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Catalog Number io-406911
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Molecular Weight 444.4000
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SMILES
| Size | QTY | Notes | |
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| 1 | 2',4',6'-Trifluoro-5'-(4-formylphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarbaldehyde |
| 2 | YSZC431 |
| 3 | SCHEMBL31558768 |
| 4 | CS-0379270 |
| 5 | H27575 |
| Molecular Formula | C27H15F3O3 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 444.4000 |
| InChIKey | QYLBWYGMWSWBNS-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H15F3O3/c28-25-22(19-7-1-16(13-31)2-8-19)26(29)24(21-11-5-18(15-33)6-12-21)27(30)23(25)20-9-3-17(14-32)4-10-20/h1-15H |
| XLogP | 5.5000 |
| ExactMass | 444.0973 |
| MonoisotopicMass | 444.0973 |
| TPSA | 51.2000 |
| Complexity | 555.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 33 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1 |
| PatentFamilyCount | 1 |
| LiteratureCount | 0 |
