| CAS Number | 1820648-09-6 |
| Catalog Number | AG01FHFV(AGN-PC-3H4APA) |
| Chemical Name | 6-Fluoro-2-hydroxy-3-nitrobenzonitrile |
| IUPAC Name | 6-fluoro-2-hydroxy-3-nitrobenzonitrile |
| InChI | InChI=1S/C7H3FN2O3/c8-5-1-2-6(10(12)13)7(11)4(5)3-9/h1-2,11H |
| InChI Key | QCWFPDWJOVHRNF-UHFFFAOYSA-N |
| MDL Number | MFCD27975499 |
| Molecular Formula | C7H3FN2O3 |
| Molecular Weight | 182.1087 |
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])O)C#N)F |
| Synonyms | 6-Fluoro-2-hydroxy-3-nitrobenzonitrile,
MFCD27975499,
ZINC97447144,
PS-10551,
1820648-09-6,
N/A,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.11g/mol |
| Monoisotopic Mass | 182.013g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number