| CAS Number | 69941-50-0 |
| Catalog Number | AG00FHYF(AGN-PC-0A4K7X) |
| Chemical Name | 2-Fluoro-1-isocyanato-4-methylbenzene |
| IUPAC Name | 2-fluoro-1-isocyanato-4-methylbenzene |
| InChI | InChI=1S/C8H6FNO/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3 |
| InChI Key | QHXNVBHGNMZDND-UHFFFAOYSA-N |
| MDL Number | MFCD18269662 |
| Molecular Formula | C8H6FNO |
| Molecular Weight | 151.1377 |
| SMILES | CC1=CC(F)=C(N=C=O)C=C1 |
| Synonyms | 2-fluoro-1-isocyanato-4-methylbenzene,
SCHEMBL526849,
QHXNVBHGNMZDND-UHFFFAOYSA-N,
ZINC62822007,
AKOS012410814,
69941-50-0,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.14g/mol |
| Monoisotopic Mass | 151.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number