| CAS Number | 1881321-98-7 |
| Catalog Number | AG00I2F1 |
| Chemical Name | 2-Chloro-5-ethoxybenzotrifluoride |
| IUPAC Name | 1-chloro-4-ethoxy-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H8ClF3O/c1-2-14-6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,2H2,1H3 |
| InChI Key | NOMRVFNQPUIWRA-UHFFFAOYSA-N |
| MDL Number | MFCD28505593 |
| Molecular Formula | C9H8ClF3O |
| Molecular Weight | 224.6074 |
| SMILES | C1(Cl)C(C(F)(F)F)=CC(OCC)=CC=1 |
| Synonyms | 2-Chloro-5-ethoxybenzotrifluoride,
1881321-98-7,
SCHEMBL12126640,
ZINC144441624,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.607g/mol |
| Monoisotopic Mass | 224.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number