| CAS Number | 862874-18-8 |
| Catalog Number | AG01DWQO(AGN-PC-0CJQBG) |
| Chemical Name | 1-Chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2ClF4NO2/c8-4-2-5(9)6(13(14)15)1-3(4)7(10,11)12/h1-2H |
| InChI Key | IGABOSIUTLTMLJ-UHFFFAOYSA-N |
| MDL Number | MFCD12827972 |
| Molecular Formula | C7H2ClF4NO2 |
| Molecular Weight | 243.5429 |
| SMILES | FC(C1=CC([N+]([O-])=O)=C(F)C=C1Cl)(F)F |
| Synonyms | 1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene,
862874-18-8,
SCHEMBL1770903,
4-Chloro-2-fluoro-1-nitro-5-(trifluoromethyl)benzene,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.542g/mol |
| Monoisotopic Mass | 242.971g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number