4-Bromopentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid

CAS Registry Number®

37794-29-9
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CAS Name

4-Bromopentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid

Molecular Formula

C9H7BrO2

Molecular Mass

227.05

Cite this Page

4-Bromopentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37794-29-9 (retrieved 2024-08-13) (CAS RN: 37794-29-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    209-210 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7BrO2/c10-9-4-1-5(9)3-6(9)2(4)8(1,3)7(11)12/h1-6H,(H,11,12)

InChIKey

InChIKey=AKHPZYGHNKTNFN-UHFFFAOYSA-N

SMILES

C(O)(=O)C12C3C4C1C5C2C3C45Br

Canonical SMILES

O=C(O)C12C3C4C2C5C1C3C45Br

Other Names for this Substance

  • Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid, 4-bromo-
  • Pentacyclo[4.2.0.02,5.03,8.04,7]octanecarboxylic acid, 4-bromo-
  • 4-Bromopentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid
  • 1-Bromocubane-4-carboxylic acid
  • 4-Bromocubane-1-carboxylic acid