Methyl 4-(2-chloro-4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate (CHEM317693)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 21:29:33 UTC | ||||||||
| Update Date | 2026-08-29 21:29:33 UTC | ||||||||
| Accession Number | CHEM317693 | ||||||||
| Identification | |||||||||
| Common Name | Methyl 4-(2-chloro-4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Methyl 4-(2-chloro-4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate is a chemical compound with the formula C20H21ClFNO3. It has an average molecular weight of 377.80 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H21ClFNO3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 377.119 g/mol | ||||||||
| CAS Registry Number | 853333-91-2 | ||||||||
| IUPAC Name | Methyl 4-(2-chloro-4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=C(C=C3)F)Cl)C(=O)OC | ||||||||
| InChI Identifier | InChI=1S/C20H21ClFNO3/c1-10-16(19(25)26-4)17(12-6-5-11(22)7-13(12)21)18-14(23-10)8-20(2,3)9-15(18)24/h5-7,17,23H,8-9H2,1-4H3 | ||||||||
| InChI Key | LLAVYNCRKPBOEK-UHFFFAOYSA-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 |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
