| CAS Number | 123572-64-5 |
| Catalog Number | AG009XEM(AGN-PC-001J31) |
| Chemical Name | 2-Fluoro-1-nitro-4-(trifluoromethoxy)benzene |
| IUPAC Name | 2-fluoro-1-nitro-4-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H3F4NO3/c8-5-3-4(15-7(9,10)11)1-2-6(5)12(13)14/h1-3H |
| InChI Key | QQRLTSAICSXWBE-UHFFFAOYSA-N |
| MDL Number | MFCD13194450 |
| Molecular Formula | C7H3F4NO3 |
| Molecular Weight | 225.0972 |
| SMILES | C1=CC(=C(C=C1OC(F)(F)F)F)[N+](=O)[O-] |
| Synonyms | 123572-64-5,
2-FLUORO-1-NITRO-4-(TRIFLUOROMETHOXY)BENZENE,
SCHEMBL969906,
2751AD,
ZINC34303432,
AKOS016016278,
AKOS017344856,
2-Nitro-5-(trifluoromethoxy)fluorobenzene,
SC-38178,
Benzene, 2-fluoro-1-nitro-4-(trifluoromethoxy)-,
C7H3F4NO3,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.004906g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.1g/mol |
| Monoisotopic Mass | 225.004906g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number