| CAS Number | 1010386-64-7 |
| Catalog Number | AG01DUWQ |
| Chemical Name | 2-Iodo-N-(Prop-2-Yn-1-Yl)Acetamide |
| IUPAC Name | 2-iodo-N-prop-2-ynylacetamide |
| InChI | InChI=1S/C5H6INO/c1-2-3-7-5(8)4-6/h1H,3-4H2,(H,7,8) |
| InChI Key | CSMMHDBFJDWUDO-UHFFFAOYSA-N |
| MDL Number | MFCD20414752 |
| Molecular Formula | C5H6INO |
| Molecular Weight | 223.0117 |
| SMILES | ICC(=O)NCC#C |
| Synonyms | 2-iodo-N-(prop-2-yn-1-yl)acetamide,
1010386-64-7,
SCHEMBL2026442,
AKOS014117575,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.013g/mol |
| Monoisotopic Mass | 222.949g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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