| CAS Number | 1000577-68-3 |
| Catalog Number | AG01FDAB(AGN-PC-3H49ON) |
| Chemical Name | 3-Chloro-2-fluoro-6-iodobenzonitrile |
| IUPAC Name | 3-chloro-2-fluoro-6-iodobenzonitrile |
| InChI | InChI=1S/C7H2ClFIN/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2H |
| InChI Key | VRQDSPDXKQJULR-UHFFFAOYSA-N |
| MDL Number | MFCD09800808 |
| Molecular Formula | C7H2ClFIN |
| Molecular Weight | 281.4534 |
| SMILES | N#Cc1c(I)ccc(c1F)Cl |
| Synonyms | 3-Chloro-2-fluoro-6-iodobenzonitrile,
1000577-68-3,
SCHEMBL16936527,
ZINC15443829,
AKOS026671379,
FS-6355,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.453g/mol |
| Monoisotopic Mass | 280.89g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number