chempirical

Sodium P-chlorophenoxyacetate

C8H6ClNaO3CAS 13730-98-8208.57 g/mol

Open in Covalent MOL file
O−OOClNa+
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H6ClNaO3
Molar mass
208.57 g/mol
Exact mass
207.9903 Da
Melting point
164 °C
logP
1.42Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
13730-98-8
SMILES
[O-]C(=O)COc1ccc(Cl)cc1.[Na+]
InChIKey
PEZJICHLRCIEOF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO3.Na/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Acetic acid, 2-(4-chlorophenoxy)-, sodium salt (1:1)
  • Acetic acid, (p-chlorophenoxy)-, sodium salt
  • Acetic acid, (4-chlorophenoxy)-, sodium salt
  • Parafen
  • p-Chlorophenoxyacetic acid sodium salt
  • Sodium 4-chlorophenoxyacetate
  • 4-CPA sodium salt

Work with Sodium P-chlorophenoxyacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium phenoxyacetate3598-16-168 % similar Sodium (2,4-dichlorophenoxy)acetate2702-72-963 % similar 4-Chlorophenoxyacetic acid122-88-354 % similar 2-Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, sodium salt (1:1), (2R)-828934-41-446 % similar Bis(P-chlorophenoxy)methane555-89-545 % similar Sodium orthocarbamylphenoxyacetate3785-32-844 % similar 3-(4-Chlorophenoxy)propanoic acid3284-79-544 % similar 1-Chloro-4-ethoxybenzene622-61-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook