| CAS Number | 78263-49-7 |
| Catalog Number | AG01EXE4(AGN-PC-3H48AH) |
| Chemical Name | 2-Fluoro-1-methoxy-4-(trifluoromethyl)benzene |
| IUPAC Name | 2-fluoro-1-methoxy-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6F4O/c1-13-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H3 |
| InChI Key | AWKDWWZJPJHTRQ-UHFFFAOYSA-N |
| MDL Number | MFCD13185638 |
| Molecular Formula | C8H6F4O |
| Molecular Weight | 194.1263 |
| SMILES | FC1=CC(=CC=C1OC)C(F)(F)F |
| Synonyms | 2-Fluoro-4-(trifluoromethyl)anisole,
78263-49-7,
2-fluoro-1-methoxy-4-(trifluoromethyl)benzene,
3-Fluoro-4-methoxybenzotrifluoride,
SCHEMBL10667796,
2-fluoro-4-trifluoromethylanisole,
DTXSID00515200,
AWKDWWZJPJHTRQ-UHFFFAOYSA-N,
ZINC39369905,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.129g/mol |
| Monoisotopic Mass | 194.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number