| CAS Number | 893733-33-0 |
| Catalog Number | AG01E2NR |
| Chemical Name | 2-fluoro-4-[2-(trifluoromethyl)phenyl]aniline |
| IUPAC Name | 2-fluoro-4-[2-(trifluoromethyl)phenyl]aniline |
| InChI | InChI=1S/C13H9F4N/c14-11-7-8(5-6-12(11)18)9-3-1-2-4-10(9)13(15,16)17/h1-7H,18H2 |
| InChI Key | PIBSLXPFSOQDDU-UHFFFAOYSA-N |
| MDL Number | MFCD06801933 |
| Molecular Formula | C13H9F4N |
| Molecular Weight | 255.2109 |
| SMILES | NC1=C(F)C=C(C2=C(C(F)(F)F)C=CC=C2)C=C1 |
| Synonyms | 893733-33-0,
AKOS004123321,
BB 0222915,
2-fluoro-4-[2-(trifluoromethyl)phenyl]aniline,
4-Amino-3-fluoro-2'-(trifluoromethyl)biphenyl,
3-fluoro-2'-(trifluoromethyl)[1,1'-biphenyl]-4-amine,
3-Fluoro-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.216g/mol |
| Monoisotopic Mass | 255.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number