tert-Butyl 3-bromobenzoate

CAS Registry Number®

69038-74-0
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CAS Name

tert-Butyl 3-bromobenzoate

Molecular Formula

C11H13BrO2

Molecular Mass

257.12

Cite this Page

tert-Butyl 3-bromobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=69038-74-0 (retrieved 2024-04-25) (CAS RN: 69038-74-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,1-3H3

InChIKey

InChIKey=NPVLZVSAZXTBSR-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)C1=CC(Br)=CC=C1

Canonical SMILES

O=C(OC(C)(C)C)C=1C=CC=C(Br)C1

Other Names for this Substance

  • Benzoic acid, 3-bromo-, 1,1-dimethylethyl ester
  • tert-Butyl m-bromobenzoate
  • tert-Butyl 3-bromobenzoate
  • NSC 338413
  • 3-Bromobenzoic acid tert-butyl ester

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