| CAS Number | 641570-82-3 |
| Catalog Number | AG019WF4(AGN-PC-015Q09) |
| Chemical Name | 4-Phenyl-3-(trifluoromethyl)aniline |
| IUPAC Name | 4-phenyl-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C13H10F3N/c14-13(15,16)12-8-10(17)6-7-11(12)9-4-2-1-3-5-9/h1-8H,17H2 |
| InChI Key | ZGPGXANZLDHGQA-UHFFFAOYSA-N |
| MDL Number | MFCD09042387 |
| Molecular Formula | C13H10F3N |
| Molecular Weight | 237.2204 |
| SMILES | FC(C1=CC(N)=CC=C1C2=CC=CC=C2)(F)F |
| Synonyms | 4-phenyl-3-(trifluoromethyl)aniline,
641570-82-3,
AKOS000124491,
MCULE-4794444724,
NE50597,
4-(Phenyl)-3-(trifluoromethyl)benzenamine,
EN300-51740,
2-(trifluoromethyl)biphenyl-4-amine,
2-(Trifluoromethyl)-[1,1'-biphenyl]-4-amine,
AC1Q51CX,
SCHEMBL1926441,
CTK7D6193,
ZGPGXANZLDHGQA-UHFFFAOYSA-N,
2-trifluoromethyl-biphenyl-4-ylamine,
4-Amino-2-(trifluoromethyl)biphenyl,
ZINC21950822,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.225g/mol |
| Monoisotopic Mass | 237.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number