| CAS Number | 6182-78-1 |
| Catalog Number | AG01E4VD(AGN-PC-0ODIC6) |
| Chemical Name | tert-Butyl4-Iodobutyrate |
| IUPAC Name | tert-butyl 4-iodobutanoate |
| InChI | InChI=1S/C8H15IO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6H2,1-3H3 |
| InChI Key | JOCPIDVCNQGZGA-UHFFFAOYSA-N |
| MDL Number | MFCD25965404 |
| Molecular Formula | C8H15IO2 |
| Molecular Weight | 270.1080 |
| SMILES | ICCCC(=O)OC(C)(C)C |
| Synonyms | 6182-78-1,
4-iodobutyric acid tert-butyl ester,
tert-Butyl 4-iodobutanoate,
t-butyl 4-iodobutyrate,
tert-Butyl4-Iodobutyrate,
tert-butyl 4-iodobutyrate,
SCHEMBL418887,
CTK2D1647,
DTXSID20497271,
JOCPIDVCNQGZGA-UHFFFAOYSA-N,
AKOS032957200,
Butanoic acid, 4-iodo-, 1,1-dimethylethyl ester,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.11g/mol |
| Monoisotopic Mass | 270.012g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number