| CAS Number | 57946-62-0 |
| Catalog Number | AG01A3G0 |
| Chemical Name | 3,5-Dichloro-4-(2,2,2-trifluoroethoxy)aniline |
| IUPAC Name | 3,5-dichloro-4-(2,2,2-trifluoroethoxy)aniline |
| InChI | InChI=1S/C8H6Cl2F3NO/c9-5-1-4(14)2-6(10)7(5)15-3-8(11,12)13/h1-2H,3,14H2 |
| InChI Key | CMFQYFKDPZLFAO-UHFFFAOYSA-N |
| MDL Number | MFCD12798628 |
| Molecular Formula | C8H6Cl2F3NO |
| Molecular Weight | 260.0405 |
| SMILES | NC1=CC(Cl)=C(OCC(F)(F)F)C(Cl)=C1 |
| Synonyms | 3,5-dichloro-4-(2,2,2-trifluoroethoxy)aniline,
57946-62-0,
SCHEMBL14955914,
CMFQYFKDPZLFAO-UHFFFAOYSA-N,
ZINC37502188,
AKOS009369386,
MCULE-4612735975,
NE32971,
A1-06910,
Z1558209859,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.037g/mol |
| Monoisotopic Mass | 258.978g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number