324-41-4 Purity
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The molecular formula of S-2--bromobutyric acid is C4H7BrO2.
The molecular weight of S-2--bromobutyric acid is 167.00 g/mol.
S-2--bromobutyric acid was created in PubChem on January 25, 2006, and last modified on December 2, 2023.
The IUPAC name of S-2--bromobutyric acid is (2S)-2-bromobutanoic acid.
The InChI of S-2--bromobutyric acid is InChI=1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1.
The InChIKey of S-2--bromobutyric acid is YAQLSKVCTLCIIE-VKHMYHEASA-N.
The canonical SMILES of S-2--bromobutyric acid is CCC(C(=O)O)Br.
The isomeric SMILES of S-2--bromobutyric acid is CC[C@@H](C(=O)O)Br.
The other identifiers of S-2--bromobutyric acid are CAS: 32659-49-7, UNII: XK125R6KHN, DSSTox Substance ID: DTXSID40186332, Nikkaji Number: J57.581J, and Wikidata: Q27293869.
The XLogP3 value of S-2--bromobutyric acid is 1.4.