| CAS Number | 1447671-70-6 |
| Catalog Number | AG01FF34(AGN-PC-0WOM6M) |
| Chemical Name | 5-Bromo-4-fluoro-2-iodoanisole |
| IUPAC Name | 1-bromo-2-fluoro-4-iodo-5-methoxybenzene |
| InChI | InChI=1S/C7H5BrFIO/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3H,1H3 |
| InChI Key | BGKZMHSPKQAKEL-UHFFFAOYSA-N |
| MDL Number | MFCD25976520 |
| Molecular Formula | C7H5BrFIO |
| Molecular Weight | 330.9209 |
| SMILES | COc1cc(Br)c(cc1I)F |
| Synonyms | 1-bromo-2-fluoro-4-iodo-5-methoxybenzene,
1447671-70-6,
5-Bromo-4-fluoro-2-iodoanisole,
SCHEMBL16290528,
BGKZMHSPKQAKEL-UHFFFAOYSA-N,
ZINC95147718,
FCH2419086,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.855g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.923g/mol |
| Monoisotopic Mass | 329.855g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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