| CAS Number | 41860-66-6 |
| Catalog Number | AG00CKE9 |
| Chemical Name | 1,5-Difluoro-3-iodo-2-methoxybenzene |
| IUPAC Name | 1,5-difluoro-3-iodo-2-methoxybenzene |
| InChI | InChI=1S/C7H5F2IO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3 |
| InChI Key | DIIRJUUSLRZBBB-UHFFFAOYSA-N |
| MDL Number | MFCD27959241 |
| Molecular Formula | C7H5F2IO |
| Molecular Weight | 270.0153 |
| SMILES | COc1c(F)cc(cc1I)F |
| Synonyms | 1,5-difluoro-3-iodo-2-methoxybenzene,
41860-66-6,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.017g/mol |
| Monoisotopic Mass | 269.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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