| CAS Number | 489-18-9 |
| Catalog Number | AG01C02G |
| Chemical Name | 1-tert-Butyl-2-fluoro-4-nitrobenzene |
| IUPAC Name | 1-tert-butyl-2-fluoro-4-nitrobenzene |
| InChI | InChI=1S/C10H12FNO2/c1-10(2,3)8-5-4-7(12(13)14)6-9(8)11/h4-6H,1-3H3 |
| InChI Key | JTCVHMXGBLEHOJ-UHFFFAOYSA-N |
| MDL Number | MFCD26393433 |
| Molecular Formula | C10H12FNO2 |
| Molecular Weight | 197.2062 |
| SMILES | O=[N+](C1=CC=C(C(C)(C)C)C(F)=C1)[O-] |
| Synonyms | 1-tert-butyl-2-fluoro-4-nitrobenzene,
489-18-9,
SCHEMBL2031510,
JTCVHMXGBLEHOJ-UHFFFAOYSA-N,
ZINC117830173,
1-tert-butyl-2-fluoro-4-nitro-benzene,
A1-10860,
Benzene, 1-(1,1-dimethylethyl)-2-fluoro-4-nitro-,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.209g/mol |
| Monoisotopic Mass | 197.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number