1,3-Benzodioxole-5-carboxylic acid, 6-bromo-7-methoxy-, methyl ester

CAS Registry Number®

81474-47-7

CAS Name

1,3-Benzodioxole-5-carboxylic acid, 6-bromo-7-methoxy-, methyl ester

Molecular Formula

C10H9BrO5

Molecular Mass

289.08

Cite this Page

1,3-Benzodioxole-5-carboxylic acid, 6-bromo-7-methoxy-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81474-47-7 (retrieved 2024-11-22) (CAS RN: 81474-47-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    82-83 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H9BrO5/c1-13-9-7(11)5(10(12)14-2)3-6-8(9)16-4-15-6/h3H,4H2,1-2H3

InChIKey

InChIKey=HEVFTQCHIUGKGA-UHFFFAOYSA-N

SMILES

O(C)C1=C2C(=CC(C(OC)=O)=C1Br)OCO2

Canonical SMILES

O=C(OC)C1=CC=2OCOC2C(OC)=C1Br

Other Names for this Substance

  • 1,3-Benzodioxole-5-carboxylic acid, 6-bromo-7-methoxy-, methyl ester
  • Benzoic acid, 2-bromo-3-methoxy-4,5-methylenedioxy-, methyl ester
  • Methyl 6-bromo-3,4-methylenedioxy-5-methoxybenzoate
  • Methyl 6-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration