| CAS Number | 1021080-21-6 |
| Catalog Number | AG019LW4 |
| Chemical Name | 4-{[(4-fluoro-2-methylphenyl)amino]methyl}benzonitrile |
| IUPAC Name | 4-[(4-fluoro-2-methylanilino)methyl]benzonitrile |
| InChI | InChI=1S/C15H13FN2/c1-11-8-14(16)6-7-15(11)18-10-13-4-2-12(9-17)3-5-13/h2-8,18H,10H2,1H3 |
| InChI Key | WRPQQMPISWUHRN-UHFFFAOYSA-N |
| MDL Number | MFCD11146552 |
| Molecular Formula | C15H13FN2 |
| Molecular Weight | 240.2755 |
| SMILES | CC1=C(NCC2=CC=C(C#N)C=C2)C=CC(F)=C1 |
| Synonyms | 4-{[(4-fluoro-2-methylphenyl)amino]methyl}benzonitrile,
1021080-21-6,
EN300-33002,
ZX-AH015410,
ZINC19961253,
AKOS000242410,
MCULE-6328482962,
NE34915,
ABA-9373419,
Z124670526,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.281g/mol |
| Monoisotopic Mass | 240.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number