| Pubchem ID | 300 |
|---|---|
| CAS | 79-11-8 |
| IUPAC name | 2-chloroacetic acid |
| Synonyms | Chloroacetic acid|2-chloroacetic acid|Chloracetic acid|Chloroethanoic acid|Acetic acid, chloro-|Acide chloracetique|Monochloroethanoic acid|Monochloracetic acid|Monochloorazijnzuur|Monochloressigsaeure|Acidomonocloroacetico|Chloroacetic acid, solid|Chloroacetic|2-chloro-acetic acid|Acide monochloracetique|Acide chloroacetique|Kyselina chloroctova |
| Categories | Antimicrobial agent |
| SMILES | C(C(=O)O)Cl |
| InCheykey | InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 94.494 | 1 | 2 | 1 | 37.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Weaker / Non binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |