| CAS Number | 1695920-54-7 |
| Catalog Number | AG01ALYN |
| Chemical Name | 2-Fluoro-4-methyl-5-nitrobenzonitrile |
| IUPAC Name | 2-fluoro-4-methyl-5-nitrobenzonitrile |
| InChI | InChI=1S/C8H5FN2O2/c1-5-2-7(9)6(4-10)3-8(5)11(12)13/h2-3H,1H3 |
| InChI Key | FSHNWWKZVLPEQS-UHFFFAOYSA-N |
| MDL Number | MFCD22200940 |
| Molecular Formula | C8H5FN2O2 |
| Molecular Weight | 180.1359 |
| SMILES | FC1=C(C#N)C=C(C(=C1)C)[N+](=O)[O-] |
| Synonyms | 2-fluoro-4-methyl-5-nitrobenzonitrile,
1695920-54-7,
SCHEMBL19175062,
4-Cyano-5-flouro-2-nitro toluene,
MFCD22200940,
ZINC96035891,
CS-0077247,
W-3599,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.138g/mol |
| Monoisotopic Mass | 180.034g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number