| CAS Number | 1378862-33-9 |
| Catalog Number | AG01BUYT |
| Chemical Name | 2-Amino-6-fluoro-3-nitrobenzonitrile |
| IUPAC Name | 2-amino-6-fluoro-3-nitrobenzonitrile |
| InChI | InChI=1S/C7H4FN3O2/c8-5-1-2-6(11(12)13)7(10)4(5)3-9/h1-2H,10H2 |
| InChI Key | OLVYIQOIYHAYDU-UHFFFAOYSA-N |
| MDL Number | MFCD20038027 |
| Molecular Formula | C7H4FN3O2 |
| Molecular Weight | 181.1240 |
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])N)C#N)F |
| Synonyms | 2-amino-6-fluoro-3-nitrobenzonitrile,
1378862-33-9,
SCHEMBL9899689,
OLVYIQOIYHAYDU-UHFFFAOYSA-N,
ZINC97447161,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.126g/mol |
| Monoisotopic Mass | 181.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 95.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number