| CAS Number | 1779124-46-7 |
| Catalog Number | AG01FD8F(AGN-PC-3H49OH) |
| Chemical Name | 2-Fluoro-5-methyl-3-nitrobenzonitrile |
| IUPAC Name | 2-fluoro-5-methyl-3-nitrobenzonitrile |
| InChI | InChI=1S/C8H5FN2O2/c1-5-2-6(4-10)8(9)7(3-5)11(12)13/h2-3H,1H3 |
| InChI Key | AXVAMPKVJMGFPC-UHFFFAOYSA-N |
| MDL Number | MFCD26958707 |
| Molecular Formula | C8H5FN2O2 |
| Molecular Weight | 180.1359 |
| SMILES | N#Cc1cc(C)cc(c1F)[N+](=O)[O-] |
| Synonyms | 2-Fluoro-5-methyl-3-nitrobenzonitrile,
1779124-46-7,
SCHEMBL20242144,
ZINC96024747,
AKOS027391100,
|
| 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