| CAS Number | 7425-55-0 |
| Catalog Number | AG005MM9(AGN-PC-006ANP) |
| Chemical Name | Propanoic acid, 2-iodo-2-methyl-, ethyl ester |
| IUPAC Name | ethyl 2-iodo-2-methylpropanoate |
| InChI | InChI=1S/C6H11IO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3 |
| InChI Key | AYVTVRNTNCEPSH-UHFFFAOYSA-N |
| MDL Number | MFCD29089363 |
| Molecular Formula | C6H11IO2 |
| Molecular Weight | 242.0548 |
| SMILES | C(=O)(C(C)(C)I)OCC |
| Synonyms | ethyl 2-iodo-2-methylpropionate,
7425-55-0,
Propanoic acid, 2-iodo-2-methyl-, ethyl ester,
ethyl 2-iodoisobutyrate,
ethyl alpha-iodoisobutyrate,
SCHEMBL3199511,
CTK2H0365,
DTXSID60461658,
ethyl 2-iodo-2-methyl-propionate,
2-Iodo-2-methylpropionic Acid Ethyl Ester,
E1199,
ethyl 2-iodo-2-methylpropanoate,
Ethyl 2-iodo-2-methyl-propanoate,
CID11299482,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.056g/mol |
| Monoisotopic Mass | 241.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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