| CAS Number | 1261744-72-2 |
| Catalog Number | AG01A2ZH |
| Chemical Name | 2-(3-Fluoro-2-iodophenyl)acetonitrile |
| IUPAC Name | 2-(3-fluoro-2-iodophenyl)acetonitrile |
| InChI | InChI=1S/C8H5FIN/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2 |
| InChI Key | GWKBSXPUMKJOHP-UHFFFAOYSA-N |
| MDL Number | MFCD18397002 |
| Molecular Formula | C8H5FIN |
| Molecular Weight | 261.0349 |
| SMILES | N#CCC1=CC=CC(F)=C1I |
| Synonyms | 2-(3-fluoro-2-iodophenyl)acetonitrile,
1261744-72-2,
MFCD18397002,
ZINC88611616,
AKOS027424724,
FCH1371866,
NE43343,
EN300-119637,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.038g/mol |
| Monoisotopic Mass | 260.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number