| CAS Number | 1242339-79-2 |
| Catalog Number | AG000LQW(AGN-PC-0WD0MK) |
| Chemical Name | Benzene, 1-chloro-5-fluoro-2-iodo-3-methyl- |
| IUPAC Name | 1-chloro-5-fluoro-2-iodo-3-methylbenzene |
| InChI | InChI=1S/C7H5ClFI/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,1H3 |
| InChI Key | MFVMWNARKHGJMC-UHFFFAOYSA-N |
| MDL Number | MFCD16817667 |
| Molecular Formula | C7H5ClFI |
| Molecular Weight | 270.4705 |
| SMILES | c1c(cc(c(c1C)I)Cl)F |
| Synonyms | 1-Chloro-5-fluoro-2-iodo-3-methylbenzene,
1242339-79-2,
3-Chloro-5-fluoro-2-iodotoluene,
DTXSID30679324,
4578AA,
MFCD16817667,
ZINC67794457,
AKOS016009033,
FCH1348575,
AJ-116995,
AX8228699,
Benzene, 1-chloro-5-fluoro-2-iodo-3-methyl-,
C7H5ClFI,
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| 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
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Certificate of Analysis
Lot Number