chempirical

3-(4-Chlorophenoxy)propanoic acid

C9H9ClO3CAS 3284-79-5200.62 g/mol

Open in Covalent MOL file
OHOOCl
AlcoholCarboxylic AcidHalogen

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

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)

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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

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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