4-Chloro-o-toluidine, hydrochloride
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CAS Number 3165-93-3
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Catalog Number io-1993
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Classification Aryl Halides
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Molecular Weight 178.0600
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SMILES CC1=C(C=CC(=C1)Cl)N.Cl
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | 4-Chloro-2-methylaniline hydrochloride |
| 2 | 4-CHLORO-O-TOLUIDINE HYDROCHLORIDE |
| 3 | Kromon Green B |
| 4 | Devol Red TR |
| 5 | Neutrosel Red TRVA |
| Molecular Formula | C7H9Cl2N |
|---|---|
| Canonical SMILES | CC1=C(C=CC(=C1)Cl)N.Cl |
| Isomeric SMILES | CC1=C(C=CC(=C1)Cl)N.Cl |
| Molecular Weight | 178.0600 |
| InChIKey | VKYZDCTWJGBFDW-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H8ClN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H |
| XLogP | 0.0000 |
| ExactMass | 177.0112 |
| MonoisotopicMass | 177.0112 |
| TPSA | 26.0000 |
| Complexity | 94.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 518 |
| PatentFamilyCount | 188 |
| LiteratureCount | 52 |
