| CAS Number | 67191-92-8 |
| Catalog Number | AG01ADVG(AGN-PC-0OG0GR) |
| Chemical Name | 4-Fluoro-1-isocyanato-2-methylbenzene |
| IUPAC Name | 4-fluoro-1-isocyanato-2-methylbenzene |
| InChI | InChI=1S/C8H6FNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3 |
| InChI Key | MIMYFVDQCNYWNL-UHFFFAOYSA-N |
| MDL Number | MFCD18269641 |
| Molecular Formula | C8H6FNO |
| Molecular Weight | 151.1377 |
| SMILES | CC1=C(N=C=O)C=CC(F)=C1 |
| Synonyms | 4-fluoro-1-isocyanato-2-methylbenzene,
67191-92-8,
4-fluoro-2-methylphenyl isocyanate,
SCHEMBL420514,
2-Methyl-4-fluorophenylisocyanate,
MIMYFVDQCNYWNL-UHFFFAOYSA-N,
4-Fluoro-2-methyl-phenylisocyanate,
MFCD18269641,
ZINC62821979,
AKOS012411004,
ACN-056224,
|
| 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