| CAS Number | 1053656-47-5 |
| Catalog Number | AG0095FH(AGN-PC-0WB0NH) |
| Chemical Name | Ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate |
| IUPAC Name | ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate |
| InChI | InChI=1S/C10H9ClF3NO2/c1-2-17-9(16)4-8-7(11)3-6(5-15-8)10(12,13)14/h3,5H,2,4H2,1H3 |
| InChI Key | HBEAWNJFMWZYFY-UHFFFAOYSA-N |
| MDL Number | MFCD10568306 |
| Molecular Formula | C10H9ClF3NO2 |
| Molecular Weight | 267.6322 |
| SMILES | CCOC(CC1=C(Cl)C=C(C(F)(F)F)C=N1)=O |
| Synonyms | 1053656-47-5,
ETHYL 2-(3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)ACETATE,
ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate,
ETHYL (3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)ACETATE,
SCHEMBL4376390,
CTK6F8525,
Ethyl(3-chloro-5-(trifluoromethyl)pyridine-2-yl) acetate,
ZX-RL000502,
MFCD10568306,
ZINC43179069,
AKOS015996798,
AB56388,
KF-0029,
MCULE-2703088223,
KS-00001Q89,
PC200061,
Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-acetate,
Ethyl(3-chloro-5-(trifluoromethyl)pyridine-2-yl)acetate,
ethyl ((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)acetate,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.632g/mol |
| Monoisotopic Mass | 267.027g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number