(±)-2-(3-Chlorophenoxy)propionic acid

C9H9ClO3CAS 101-10-0200.62 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
113–114 °C
Water solubility
1.2 g/L (22 °C)
logP
2.19Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
101-10-0
SMILES
CC(Oc1cccc(Cl)c1)C(=O)O
InChIKey
YNTJKQDWYXUTLZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)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

15 names · show all
  • Propanoic acid, 2-(3-chlorophenoxy)-
  • Propionic acid, 2-(m-chlorophenoxy)-
  • 2-(3-Chlorophenoxy)propanoic acid
  • 2-(m-Chlorophenoxy)propionic acid
  • 2-(3-Chlorophenoxy)propionic acid
  • Metachlorphenprop
  • 3CP
  • α-(3-Chlorophenoxy)propionic acid
  • CP
  • Cloprop
  • Fruitone CPA
  • Swelpine
  • (RS)-2-(3-Chlorophenoxy)propionic acid
  • 3-CPPA
  • (+-)-2-(3-Chlorophenoxy)propionic acid

Work with (±)-2-(3-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

DL-2-Phenoxypropionic acid940-31-867 % similar Clofop26129-32-865 % similar Dichlorprop120-36-562 % similar Mecoprop7085-19-060 % similar Mecoprop93-65-260 % similar 2-(4-Hydroxy-phenoxy)-propionic acid67648-61-756 % similar Hydroxyphenoxy propionic acid94050-90-556 % similar 2-(4-Methoxyphenoxy)propionic acid13794-15-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 2-(4-Chlorophenoxy)propionic acid3307-39-9 Methyl 5-chloro-2-methoxybenzoate33924-48-0 3,4-Dimethoxybenzoyl chloride3535-37-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook