| CAS Number | 1021233-24-8 |
| Catalog Number | AG01BVLL |
| Chemical Name | 2-[(4-Fluoro-2-methylphenyl)amino]acetonitrile |
| IUPAC Name | 2-(4-fluoro-2-methylanilino)acetonitrile |
| InChI | InChI=1S/C9H9FN2/c1-7-6-8(10)2-3-9(7)12-5-4-11/h2-3,6,12H,5H2,1H3 |
| InChI Key | HRHZXNDHVJHQRF-UHFFFAOYSA-N |
| MDL Number | MFCD11153945 |
| Molecular Formula | C9H9FN2 |
| Molecular Weight | 164.1796 |
| SMILES | CC1=C(NCC#N)C=CC(F)=C1 |
| Synonyms | 2-[(4-FLUORO-2-METHYLPHENYL)AMINO]ACETONITRILE,
1021233-24-8,
ZINC20054510,
AKOS000258283,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.183g/mol |
| Monoisotopic Mass | 164.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number