3-(4-Chlorophenoxy)propanoic acid

C9H9ClO3CAS 3284-79-5200.62 g/mol

Open in Covalent MOL file
OHOOCl
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C9H9ClO3
Molar mass
200.62 g/mol
Exact mass
200.0240 Da
Melting point
138–139 °C
logP
2.19Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3284-79-5
SMILES
O=C(O)CCOc1ccc(Cl)cc1
InChIKey
OWHJDUCBLVMRBJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • Propanoic acid, 3-(4-chlorophenoxy)-
  • Propionic acid, 3-(p-chlorophenoxy)-
  • β-(4-Chlorophenoxy)propionic acid
  • 3-(p-Chlorophenoxy)propionic acid
  • 3-(4-Chlorophenoxy)propionic acid
  • NSC 48113

Work with 3-(4-Chlorophenoxy)propanoic 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

4-Chlorophenoxyacetic acid122-88-370 % similar 3-Phenoxypropionic acid7170-38-967 % similar 3-(4-Fluorophenoxy)propanoic acid1579-78-866 % similar 3-(4-Hydroxymethylphenoxy)propionic acid101366-61-464 % similar 3-(4-Chlorophenyl)propanoic acid2019-34-359 % similar 3-(4-Chlorobenzoyl)propionic acid3984-34-754 % similar 4-Phenoxybutyric acid6303-58-854 % similar 2-(4-Chlorophenoxy)ethanol1892-43-953 % 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 2-(4-Chlorophenoxy)propionic acid3307-39-9 Methyl 5-chloro-2-methoxybenzoate33924-48-0 3,4-Dimethoxybenzoyl chloride3535-37-3

Elsewhere

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