chempirical

2-(4-Chlorophenoxy)propionic acid

C9H9ClO3CAS 3307-39-9200.62 g/mol

Open in Covalent MOL file
OClOOH
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C9H9ClO3
Molar mass
200.62 g/mol
Exact mass
200.0240 Da
Melting point
66 °C
logP
2.19Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
3307-39-9
SMILES
CC(Oc1ccc(Cl)cc1)C(=O)O
InChIKey
DKHJWWRYTONYHB-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

13 names · show all
  • Propanoic acid, 2-(4-chlorophenoxy)-
  • Propionic acid, 2-(p-chlorophenoxy)-
  • 2-(4-Chlorophenoxy)propanoic acid
  • 4-CPP
  • 2-(4-CPP)
  • α-(4-Chlorophenoxy)propionic acid
  • 2-(p-Chlorophenoxy)propionic acid
  • CPP
  • (±)-2-(4-Chlorophenoxy)propionic acid
  • DL-2-(4-Chlorophenoxy)propionic acid
  • (±)-2-(p-Chlorophenoxy)propionic acid
  • NSC 70174
  • (RS)-2-(4-Chlorophenoxy)propionic acid

Work with 2-(4-Chlorophenoxy)propionic acid

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

Clofop26129-32-891 % similar 2-(4-Hydroxy-phenoxy)-propionic acid67648-61-771 % similar Hydroxyphenoxy propionic acid94050-90-571 % similar 2-(4-Methoxyphenoxy)propionic acid13794-15-569 % similar DL-2-Phenoxypropionic acid940-31-868 % similar Dichlorprop120-36-563 % similar 2-(4-(Trifluoromethoxy)phenoxy)propanoic acid175204-35-062 % similar Mecoprop7085-19-061 % similar

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

Same formula

(±)-2-(3-Chlorophenoxy)propionic acid101-10-0 3,5-Dimethoxybenzoyl chloride17213-57-9 2,5-Dimethoxybenzoyl chloride17918-14-8 2,6-Dimethoxybenzoyl chloride1989-53-3 2-(2-Chlorophenoxy)propionic acid25140-86-7 3-(4-Chlorophenoxy)propanoic acid3284-79-5 Methyl 5-chloro-2-methoxybenzoate33924-48-0 3,4-Dimethoxybenzoyl chloride3535-37-3

Elsewhere

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