| CAS Number | 1126424-32-5 |
| Catalog Number | AG00IS53(AGN-PC-0WAZ4E) |
| Chemical Name | 1-Chloro-5-fluoro-4-iodo-2-methylbenzene |
| IUPAC Name | 1-chloro-5-fluoro-4-iodo-2-methylbenzene |
| InChI | InChI=1S/C7H5ClFI/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3 |
| InChI Key | JRGNNZOCANCPLM-UHFFFAOYSA-N |
| MDL Number | MFCD16658720 |
| Molecular Formula | C7H5ClFI |
| Molecular Weight | 270.4705 |
| SMILES | c1(c(cc(c(c1)I)F)Cl)C |
| Synonyms | 1-chloro-5-fluoro-4-iodo-2-methylbenzene,
1126424-32-5,
SCHEMBL832773,
2-Chloro-4-fluoro-5-iodotoluene,
KS-00001Q0T,
AKOS024464766,
ZINC114674079,
CS-4179,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.911g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.47g/mol |
| Monoisotopic Mass | 269.911g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number