Isophthaloyl dichloride
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CAS Number 99-63-8
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Catalog Number io-406804
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Molecular Weight 203.0200
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SMILES C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl
| Size | QTY | Notes | |
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No description available for this item
| 1 | Isophthaloyl dichloride |
| 2 | Isophthaloyl chloride |
| 3 | 1,3-Benzenedicarbonyl dichloride |
| 4 | 1,3-BENZENEDICARBONYL CHLORIDE |
| 5 | Isophthalic acid chloride |
| Molecular Formula | C8H4Cl2O2 |
|---|---|
| Canonical SMILES | C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl |
| Isomeric SMILES | C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl |
| Molecular Weight | 203.0200 |
| InChIKey | FDQSRULYDNDXQB-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H |
| XLogP | 3.6000 |
| ExactMass | 201.9588 |
| MonoisotopicMass | 201.9588 |
| TPSA | 34.1000 |
| Complexity | 183.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 25322 |
| PatentFamilyCount | 11027 |
| LiteratureCount | 394 |
