Chloramben
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CAS Number 133-90-4
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Catalog Number io-1940
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Classification Acids
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Molecular Weight 206.0200
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SMILES C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl
| Size | QTY | Notes | |
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Chloramben is a chlorobenzoic acid.
| 1 | Chloramben |
| 2 | 3-Amino-2,5-dichlorobenzoic acid |
| 3 | Ambiben |
| 4 | Benzoic acid, 3-amino-2,5-dichloro- |
| 5 | AMIBEN |
| Molecular Formula | C7H5Cl2NO2 |
|---|---|
| Canonical SMILES | C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl |
| Isomeric SMILES | C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl |
| Molecular Weight | 206.0200 |
| InChIKey | HSSBORCLYSCBJR-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12) |
| XLogP | 2.0000 |
| ExactMass | 204.9697 |
| MonoisotopicMass | 204.9697 |
| TPSA | 63.3000 |
| Complexity | 188.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 19062 |
| PatentFamilyCount | 4341 |
| LiteratureCount | 175 |
