| CAS Number | 928783-29-3 |
| Catalog Number | AG003ANO(AGN-PC-0W227X) |
| Chemical Name | 4-[5-(3,5-Dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[(methoxyamino)methylene]-2-methylbenzamide |
| IUPAC Name | 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(methoxyiminomethyl)-2-methylbenzamide |
| InChI | InChI=1S/C20H16Cl2F3N3O3/c1-11-5-12(3-4-16(11)18(29)26-10-27-30-2)17-9-19(31-28-17,20(23,24)25)13-6-14(21)8-15(22)7-13/h3-8,10H,9H2,1-2H3,(H,26,27,29) |
| InChI Key | BPFUIWLQXNPZHI-UHFFFAOYSA-N |
| MDL Number | MFCD31692349 |
| Molecular Formula | C20H16Cl2F3N3O3 |
| Molecular Weight | 474.2605 |
| SMILES | O=C(N/C=N/OC)C1=CC=C(C2=NOC(C(F)(F)F)(C3=CC(Cl)=CC(Cl)=C3)C2)C=C1C |
| Synonyms | Fluxametamide,
928783-29-3,
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| Complexity | 712 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 473.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 474.261g/mol |
| Monoisotopic Mass | 473.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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