| CAS Number | 796968-89-3 |
| Catalog Number | AG01FGD6(AGN-PC-0H4LL6) |
| Chemical Name | 4-Bromo-2-fluoro-6-iodobenzonitrile |
| IUPAC Name | 4-bromo-2-fluoro-6-iodobenzonitrile |
| InChI | InChI=1S/C7H2BrFIN/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H |
| InChI Key | AVOJNETXISRKKX-UHFFFAOYSA-N |
| MDL Number | MFCD28127023 |
| Molecular Formula | C7H2BrFIN |
| Molecular Weight | 325.9044 |
| SMILES | N#Cc1c(F)cc(cc1I)Br |
| Synonyms | 4-bromo-2-fluoro-6-iodobenzonitrile,
796968-89-3,
SCHEMBL423554,
MFCD28127023,
AKOS030626606,
ZINC113802520,
FCH2698401,
PC52085,
PS-10150,
AX8276627,
AS-813/43501883,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.84g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.907g/mol |
| Monoisotopic Mass | 324.84g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number