| CAS Number | 56198-37-9 |
| Catalog Number | AG01E4QZ(AGN-PC-002K2F) |
| Chemical Name | tert-Butyl5-Iodovalerate |
| IUPAC Name | tert-butyl 5-iodopentanoate |
| InChI | InChI=1S/C9H17IO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7H2,1-3H3 |
| InChI Key | MUZIHYJJSZAJSY-UHFFFAOYSA-N |
| MDL Number | MFCD28401357 |
| Molecular Formula | C9H17IO2 |
| Molecular Weight | 284.1346 |
| SMILES | ICCCCC(=O)OC(C)(C)C |
| Synonyms | 56198-37-9,
tert-Butyl5-Iodovalerate,
t-butyl 5-iodopentanoate,
tert-Butyl 5-iodovalerate,
CTK1F5105,
DTXSID50564046,
TERT-BUTYL 5-IODOPENTANOATE,
5-Iodovaleric acid tert-butyl ester,
AKOS032957199,
ZINC196334514,
5-Iodo-pentanoic acid tert-butyl ester,
Pentanoic acid, 5-iodo-, 1,1-dimethylethyl ester,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.137g/mol |
| Monoisotopic Mass | 284.027g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number