| CAS Number | 1609396-37-3 |
| Catalog Number | AG00J1WT(AGN-PC-0WB6H9) |
| Chemical Name | 4-Ethoxy-3-(trifluoromethyl)aniline hydrochloride |
| IUPAC Name | 4-ethoxy-3-(trifluoromethyl)aniline;hydrochloride |
| InChI | InChI=1S/C9H10F3NO.ClH/c1-2-14-8-4-3-6(13)5-7(8)9(10,11)12;/h3-5H,2,13H2,1H3;1H |
| InChI Key | KRESFGRMCNFJPV-UHFFFAOYSA-N |
| MDL Number | MFCD26959419 |
| Molecular Formula | C9H11ClF3NO |
| Molecular Weight | 241.6379 |
| SMILES | C1(=CC(=CC=C1OCC)N)C(F)(F)F.Cl |
| Synonyms | 1609396-37-3,
[4-ethoxy-3-(trifluoromethyl)phenyl]amine hydrochloride,
4-ETHOXY-3-(TRIFLUOROMETHYL)ANILINE HYDROCHLORIDE,
ZX-CM006794,
MFCD26959419,
AKOS027426573,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.638g/mol |
| Monoisotopic Mass | 241.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number