(2SR,4RS)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1- ylmethyl)-1,3-dioxolane-4-carboxylic acid (CHEM120436)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:22:43 UTC | ||||||||
| Update Date | 2026-04-06 08:22:43 UTC | ||||||||
| Accession Number | CHEM120436 | ||||||||
| Identification | |||||||||
| Common Name | (2SR,4RS)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1- ylmethyl)-1,3-dioxolane-4-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H11Cl2N3O4 | ||||||||
| Average Molecular Mass | 344.150 g/mol | ||||||||
| Monoisotopic Mass | 343.013 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OC(=O)[C@H]1CO[C@](CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 | ||||||||
| InChI Identifier | InChI=1/C13H11Cl2N3O4/c14-8-1-2-9(10(15)3-8)13(5-18-7-16-6-17-18)21-4-11(22-13)12(19)20/h1-3,6-7,11H,4-5H2,(H,19,20)/t11-,13-/s2 | ||||||||
| InChI Key | NUAGPTNJVDKMOR-PZILLZCR-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
