Benzyl Chloride
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CAS Number 100-44-7
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Catalog Number io-1815
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Classification Halogenated Organic Compounds
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Molecular Weight 126.5800
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SMILES C1=CC=C(C=C1)CCl
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Benzyl chloride is a member of the class of benzyl chlorides that is toluene substituted on the alpha-carbon with chlorine.
| 1 | BENZYL CHLORIDE |
| 2 | (Chloromethyl)benzene |
| 3 | Chloromethylbenzene |
| 4 | Benzylchloride |
| 5 | alpha-Chlorotoluene |
| Molecular Formula | C7H7Cl |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)CCl |
| Isomeric SMILES | C1=CC=C(C=C1)CCl |
| Molecular Weight | 126.5800 |
| InChIKey | KCXMKQUNVWSEMD-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| XLogP | 2.3000 |
| ExactMass | 126.0236 |
| MonoisotopicMass | 126.0236 |
| TPSA | 0.0000 |
| Complexity | 55.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 61728 |
| PatentFamilyCount | 24582 |
| LiteratureCount | 3710 |
