2-(2-Chlorophenoxy)propionic acid

C9H9ClO3CAS 25140-86-7200.62 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
114–115 °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 2 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
25140-86-7
SMILES
CC(Oc1ccccc1Cl)C(=O)O
InChIKey
ZGWNXHRVUJVMCP-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

7 names
  • Propanoic acid, 2-(2-chlorophenoxy)-
  • Propionic acid, 2-(o-chlorophenoxy)-
  • 2-(2-Chlorophenoxy)propanoic acid
  • 2-(o-Chlorophenoxy)propionic acid
  • (±)-2-(2-Chlorophenoxy)propionic acid
  • (RS)-2-(2-Chlorophenoxy)propionic acid
  • (±)-2-(2-Chlorophenoxy)propanoic acid

Work with 2-(2-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

Dichlorprop120-36-572 % similar Fenoprop93-72-170 % similar DL-2-Phenoxypropionic acid940-31-859 % similar Mecoprop7085-19-058 % similar Mecoprop93-65-258 % similar Clofop26129-32-851 % similar 2-(4-Hydroxy-phenoxy)-propionic acid67648-61-750 % similar Hydroxyphenoxy propionic acid94050-90-550 % 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 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

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