| CAS Number | 456-45-1 |
| Catalog Number | AG01C2JZ(AGN-PC-00N1KB) |
| Chemical Name | 1-(fluoromethyl)-3-iodobenzene |
| IUPAC Name | 1-(fluoromethyl)-3-iodobenzene |
| InChI | InChI=1S/C7H6FI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 |
| InChI Key | CLGUNKIQACZLMY-UHFFFAOYSA-N |
| MDL Number | MFCD26727707 |
| Molecular Formula | C7H6FI |
| Molecular Weight | 236.0254 |
| SMILES | FCC1=CC(I)=CC=C1 |
| Synonyms | 1-(fluoromethyl)-3-iodobenzene,
456-45-1,
SCHEMBL6662786,
AKOS023600424,
ZINC107263604,
|
| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.028g/mol |
| Monoisotopic Mass | 235.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number