CLX
TRI-CHLORO-ACETALDEHYDE
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 7 |
Chiral Atom Count | 0 |
Bond Count | 6 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | TRI-CHLORO-ACETALDEHYDE |
Systematic Name (OpenEye OEToolkits) | 2,2,2-trichloroethanal |
Formula | C2 H Cl3 O |
Molecular Weight | 147.388 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClC(Cl)(Cl)C=O |
SMILES | CACTVS | 3.341 | ClC(Cl)(Cl)C=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(=O)C(Cl)(Cl)Cl |
Canonical SMILES | CACTVS | 3.341 | ClC(Cl)(Cl)C=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(=O)C(Cl)(Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H |
InChIKey | InChI | 1.03 | HFFLGKNGCAIQMO-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB02650 |
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Name | Trichloroacetaldehyde |
Groups | experimental |
Synonyms |
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Categories |
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CAS number | 75-87-6 |
Related Resource References
Resource Name | Reference |
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PubChem | 6407 |
ChEMBL | CHEMBL27551 |
ChEBI | CHEBI:48814 |