MCPA isobutyl ester

CAS Registry Number®

1713-11-7

CAS Name

MCPA isobutyl ester

Molecular Formula

C13H17ClO3

Molecular Mass

256.73

Cite this Page

MCPA isobutyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1713-11-7 (retrieved 2024-11-21) (CAS RN: 1713-11-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120-124 °C @ Press: 0.5 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H17ClO3/c1-9(2)7-17-13(15)8-16-12-5-4-11(14)6-10(12)3/h4-6,9H,7-8H2,1-3H3

InChIKey

InChIKey=VETMCNQKJNFMHJ-UHFFFAOYSA-N

SMILES

O(CC(OCC(C)C)=O)C1=C(C)C=C(Cl)C=C1

Canonical SMILES

O=C(OCC(C)C)COC1=CC=C(Cl)C=C1C

Other Names for this Substance

  • Acetic acid, 2-(4-chloro-2-methylphenoxy)-, 2-methylpropyl ester
  • Acetic acid, [(4-chloro-o-tolyl)oxy]-, isobutyl ester
  • Acetic acid, (4-chloro-2-methylphenoxy)-, 2-methylpropyl ester
  • MCPA isobutyl ester
  • 2-Methylpropyl 2-(4-chloro-2-methylphenoxy)acetate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration