| CAS Number | 13398-11-3 |
| Catalog Number | AG01BDKJ(AGN-PC-0JD0RD) |
| Chemical Name | Iodomethyl acetate |
| IUPAC Name | iodomethyl acetate |
| InChI | InChI=1S/C3H5IO2/c1-3(5)6-2-4/h2H2,1H3 |
| InChI Key | NZDJTVSTIFYISQ-UHFFFAOYSA-N |
| MDL Number | MFCD19381805 |
| Molecular Formula | C3H5IO2 |
| Molecular Weight | 199.9751 |
| SMILES | CC(OCI)=O |
| Synonyms | Iodomethyl Acetate,
13398-11-3,
acetoxymethyl iodide,
Acetic acid iodomethyl ester,
SCHEMBL1042754,
NZDJTVSTIFYISQ-UHFFFAOYSA-N,
ZINC36459516,
CID11820084,
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| Complexity | 52.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.93343g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.97g/mol |
| Monoisotopic Mass | 199.93343g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number