| CAS Number | 35229-86-8 |
| Catalog Number | AG01A68H(AGN-PC-0JNG8U) |
| Chemical Name | (E)-Ethyl 2-chloro-2-(2-(2-(trifluoromethyl)phenyl)hydrazono)acetate |
| IUPAC Name | ethyl 2-chloro-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate |
| InChI | InChI=1S/C11H10ClF3N2O2/c1-2-19-10(18)9(12)17-16-8-6-4-3-5-7(8)11(13,14)15/h3-6,16H,2H2,1H3 |
| InChI Key | KOTWSMZTIFTQHU-UHFFFAOYSA-N |
| MDL Number | MFCD18433961 |
| Molecular Formula | C11H10ClF3N2O2 |
| Molecular Weight | 294.6575 |
| SMILES | CCOC(C(Cl)=NNC1=C(C(F)(F)F)C=CC=C1)=O |
| Synonyms | (E)-Ethyl 2-chloro-2-(2-(2-(trifluoromethyl)phenyl)hydrazono)acetate,
35229-86-8,
CTK1C4598,
ETHYL (2E)-2-CHLORO-2-[[2-(TRIFLUOROMETHYL)PHENYL]HYDRAZINYLIDENE]ACETATE,
ZINC242547638,
Ethyl (2E)-2-chloro-2-((2-(trifluoromethyl)phenyl)hydrazinylidene)acetate,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.658g/mol |
| Monoisotopic Mass | 294.038g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5 |
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Certificate of Analysis
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