p-Chloroaniline
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CAS Number 106-47-8
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Catalog Number io-1960
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Classification Amines
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Molecular Weight 127.5700
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SMILES C1=CC(=CC=C1N)Cl
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p-Chloroaniline can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).
| 1 | 4-CHLOROANILINE |
| 2 | p-Chloroaniline |
| 3 | 4-Chlorobenzenamine |
| 4 | Benzenamine, 4-chloro- |
| 5 | para-Chloroaniline |
| Molecular Formula | C6H6ClN |
|---|---|
| Canonical SMILES | C1=CC(=CC=C1N)Cl |
| Isomeric SMILES | C1=CC(=CC=C1N)Cl |
| Molecular Weight | 127.5700 |
| InChIKey | QSNSCYSYFYORTR-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 |
| XLogP | 1.9000 |
| ExactMass | 127.0189 |
| MonoisotopicMass | 127.0189 |
| TPSA | 26.0000 |
| Complexity | 66.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 30952 |
| PatentFamilyCount | 12391 |
| LiteratureCount | 2692 |
