| CAS Number | 363-96-2 |
| Catalog Number | AG00I77C(AGN-PC-0WR7Q1) |
| Chemical Name | 4-ethoxy-1-nitro-2-(trifluoromethyl)benzene |
| IUPAC Name | 4-ethoxy-1-nitro-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H8F3NO3/c1-2-16-6-3-4-8(13(14)15)7(5-6)9(10,11)12/h3-5H,2H2,1H3 |
| InChI Key | NKLHIQCWSGPHOJ-UHFFFAOYSA-N |
| MDL Number | MFCD29043582 |
| Molecular Formula | C9H8F3NO3 |
| Molecular Weight | 235.1599 |
| SMILES | CCOc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-] |
| Synonyms | 4-ETHOXY-1-NITRO-2-(TRIFLUOROMETHYL)BENZENE,
363-96-2,
ZINC261493993,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.162g/mol |
| Monoisotopic Mass | 235.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number