| CAS Number | 1041551-15-8 |
| Catalog Number | AG01A2VX |
| Chemical Name | 2-{[2-(Trifluoromethyl)phenyl]amino}benzonitrile |
| IUPAC Name | 2-[2-(trifluoromethyl)anilino]benzonitrile |
| InChI | InChI=1S/C14H9F3N2/c15-14(16,17)11-6-2-4-8-13(11)19-12-7-3-1-5-10(12)9-18/h1-8,19H |
| InChI Key | PLTGOGVICYNUQA-UHFFFAOYSA-N |
| MDL Number | MFCD12619061 |
| Molecular Formula | C14H9F3N2 |
| Molecular Weight | 262.2299 |
| SMILES | FC(C1=C(NC2=C(C#N)C=CC=C2)C=CC=C1)(F)F |
| Synonyms | 2-{[2-(trifluoromethyl)phenyl]amino}benzonitrile,
1041551-15-8,
SCHEMBL16481048,
ZINC21512135,
AKOS009189817,
NE40548,
EN300-119188,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.235g/mol |
| Monoisotopic Mass | 262.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number