99134-25-5 Purity
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The molecular formula of T-butyl 4-bromobutyrate is C8H15BrO2.
The molecular weight of T-butyl 4-bromobutyrate is 223.11 g/mol.
The IUPAC name of T-butyl 4-bromobutyrate is tert-butyl 4-bromobutanoate.
The InChI of T-butyl 4-bromobutyrate is InChI=1S/C8H15BrO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6H2,1-3H3.
The InChIKey of T-butyl 4-bromobutyrate is HJEZRYIJNHAIGY-UHFFFAOYSA-N.
The canonical SMILES of T-butyl 4-bromobutyrate is CC(C)(C)OC(=O)CCCBr.
The CAS number of T-butyl 4-bromobutyrate is 110661-91-1.
The XLogP3-AA value of T-butyl 4-bromobutyrate is 2.2.
T-butyl 4-bromobutyrate has 0 hydrogen bond donor count.
T-butyl 4-bromobutyrate has 5 rotatable bond count.