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The molecular formula of tert-butyl-3-bromobenzoate is C11H13BrO2.
The molecular weight of tert-butyl-3-bromobenzoate is 257.12 g/mol.
The IUPAC name of tert-butyl-3-bromobenzoate is tert-butyl 3-bromobenzoate.
The InChI of tert-butyl-3-bromobenzoate is InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,1-3H3.
The InChIKey of tert-butyl-3-bromobenzoate is NPVLZVSAZXTBSR-UHFFFAOYSA-N.
The canonical SMILES of tert-butyl-3-bromobenzoate is CC(C)(C)OC(=O)C1=CC(=CC=C1)Br.
The CAS number of tert-butyl-3-bromobenzoate is 69038-74-0.
The European Community (EC) number of tert-butyl-3-bromobenzoate is 614-908-5.
The DSSTox Substance ID of tert-butyl-3-bromobenzoate is DTXSID30318988.
The XLogP3 value of tert-butyl-3-bromobenzoate is 4.2.
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