| CAS Number | 923232-26-2 |
| Catalog Number | AG019KH2 |
| Chemical Name | 5-fluoro-2-isocyanatobenzonitrile |
| IUPAC Name | 5-fluoro-2-isocyanatobenzonitrile |
| InChI | InChI=1S/C8H3FN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3H |
| InChI Key | LAZVKJWOODEOIK-UHFFFAOYSA-N |
| MDL Number | MFCD08691395 |
| Molecular Formula | C8H3FN2O |
| Molecular Weight | 162.1206 |
| SMILES | FC1=CC(C#N)=C(N=C=O)C=C1 |
| Synonyms | 5-fluoro-2-isocyanatobenzonitrile,
923232-26-2,
AC1Q4LM2,
SCHEMBL17027595,
CTK7G9910,
ZINC12505311,
AKOS000125038,
MCULE-8541138976,
NE48023,
5-Fluoro-2-isocyanatobenzonitrile, AldrichCPR,
EN300-26914,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.123g/mol |
| Monoisotopic Mass | 162.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number