2-Chloroacetophenone
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CAS Number 532-27-4
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Catalog Number io-1958
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Classification Halogenated Organic Compounds
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Molecular Weight 154.5900
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SMILES C1=CC=C(C=C1)C(=O)CCl
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | 2-CHLOROACETOPHENONE |
| 2 | Phenacyl chloride |
| 3 | 2-Chloro-1-phenylethanone |
| 4 | omega-Chloroacetophenone |
| 5 | CHLOROACETOPHENONE |
| Molecular Formula | C8H7ClO |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)C(=O)CCl |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)CCl |
| Molecular Weight | 154.5900 |
| InChIKey | IMACFCSSMIZSPP-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2 |
| XLogP | 2.3000 |
| ExactMass | 154.0185 |
| MonoisotopicMass | 154.0185 |
| TPSA | 17.1000 |
| Complexity | 116.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 9472 |
| PatentFamilyCount | 3896 |
| LiteratureCount | 801 |
