4-chlorophenoxyacetic Acid

4_chlorophenoxyaceticacid synonyms

(4-chlorophenoxy)acetic acid; 4-CPA; (p-chlorophenoxy)acetic acid; para-chlorophenoxyacetic acid; 4-Chlorphenoxyessigsaeure; 4-Chlorophenoxyacetate; C0413_SIGMA; 4-Chlorophenoxyacetic acid; Acetic acid, (p-chlorophenoxy)-; Acetic acid, (4-chlorophenoxy)-


Graphical representations:


View large 3D structure

Molecular Formula: C8H7O3Cl

Natural Isotopic Abundance Mass: 186.59238

Mono-Isotopic Molecular Masses:

  • C12N14: 186.008371801
  • C13N14: 194.0352105034
  • C12N15: 186.008371801
  • C13N15: 194.0352105034

InChI string: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

PubChem Compound (CID): 26229
CAS Registry number: 122-88-3
Sigma-Aldrich: C0413_SIGMA
KEGG Compound ID: C07088
NIST Chemistry WebBook: 3281418328
MMCD: cq_04161
MDL: MFCD00004305

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)