| CAS Number | 1391728-13-4 |
| Catalog Number | AG009WPL(AGN-PC-0WANR0) |
| Chemical Name | 1-Fluoro-1,3-dihydro-3,3-dimethyl-1,2-benziodoxole |
| IUPAC Name | 1-fluoro-3,3-dimethyl-1λ3,2-benziodoxole |
| InChI | InChI=1S/C9H10FIO/c1-9(2)7-5-3-4-6-8(7)11(10)12-9/h3-6H,1-2H3 |
| InChI Key | FISITPXJYDTLHI-UHFFFAOYSA-N |
| MDL Number | MFCD28397076 |
| Molecular Formula | C9H10FIO |
| Molecular Weight | 280.0780 |
| SMILES | CC1(C)c2c([I](O1)F)cccc2 |
| Synonyms | 1-Fluoro-3,3-dimethyl-1,2-benziodoxole,
1391728-13-4,
1-Fluoro-1,3-dihydro-3,3-dimethyl-1,2-benziodoxole,
Alcohol fluoroiodane,
1-Fluoro-3,3-dimethylbenziodoxole,
MFCD28397076,
CS-7031,
F0957,
1-Fluoro-3,3-dimethyl-1-ioda(III)-2-oxaindan,
1-Fluoro-3,3-dimethyl-1,3-dihydro-1lambda3-benzo[d][1,2]iodaoxole,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.081g/mol |
| Monoisotopic Mass | 279.976g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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