| CAS Number | 57870-03-8 |
| Catalog Number | AG01AJ2R(AGN-PC-003Y8H) |
| Chemical Name | Ethyl 4-(trifluoromethyl)benzene-1-carboximidate |
| IUPAC Name | ethyl 4-(trifluoromethyl)benzenecarboximidate |
| InChI | InChI=1S/C10H10F3NO/c1-2-15-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6,14H,2H2,1H3 |
| InChI Key | OQWJBTBBKXKOEA-UHFFFAOYSA-N |
| MDL Number | MFCD18838994 |
| Molecular Formula | C10H10F3NO |
| Molecular Weight | 217.1877 |
| SMILES | CCOC(C1=CC=C(C(F)(F)F)C=C1)=N |
| Synonyms | ethyl 4-(trifluoromethyl)benzene-1-carboximidate,
57870-03-8,
SCHEMBL3731899,
ethyl 4-(trifluoromethyl)benzoimidate,
ZINC34478097,
NE31908,
SC-39388,
EN300-79616,
4-(Trifluoromethyl)benzimidic acid ethyl ester,
O-ethyl 4-trifluoromethylbenzimidate,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.191g/mol |
| Monoisotopic Mass | 217.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number