tert-Butyl 4-Iodobutyrate - CAS 6182-78-1
Catalog: |
BB070953 |
Product Name: |
tert-Butyl 4-Iodobutyrate |
CAS: |
6182-78-1 |
Synonyms: |
tert-Butyl 4-iodobutanoate; tert-Butyl4-Iodobutyrate; tert-butyl 4-iodobutyrate; 4-iodobutyric acid tert-butyl ester; t-butyl 4-iodobutyrate |
IUPAC Name: | tert-butyl 4-iodobutanoate |
Molecular Weight: | 270.11 |
Molecular Formula: | C8H15IO2 |
Canonical SMILES: | CC(C)(C)OC(=O)CCCI |
InChI: | InChI=1S/C8H15IO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6H2,1-3H3 |
InChI Key: | JOCPIDVCNQGZGA-UHFFFAOYSA-N |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.01168 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.01168 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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