1,3-Dichlorobenzene
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CAS Number 541-73-1
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Catalog Number io-2142
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Classification Aryl Halides
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Molecular Weight 147.0000
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SMILES C1=CC(=CC(=C1)Cl)Cl
| Size | QTY | Notes | |
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1,3-dichlorobenzene is a dichlorobenzene carrying chloro substituents at positions 1 and 3.
| 1 | 1,3-DICHLOROBENZENE |
| 2 | m-Dichlorobenzene |
| 3 | meta-Dichlorobenzene |
| 4 | Benzene, 1,3-dichloro- |
| 5 | m-Phenylene dichloride |
| Molecular Formula | C6H4Cl2 |
|---|---|
| Canonical SMILES | C1=CC(=CC(=C1)Cl)Cl |
| Isomeric SMILES | C1=CC(=CC(=C1)Cl)Cl |
| Molecular Weight | 147.0000 |
| InChIKey | ZPQOPVIELGIULI-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H |
| XLogP | 3.5000 |
| ExactMass | 145.9690 |
| MonoisotopicMass | 145.9690 |
| TPSA | 0.0000 |
| Complexity | 64.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 42817 |
| PatentFamilyCount | 17676 |
| LiteratureCount | 991 |
