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C15H13ClO4CAS 26129-32-8292.72 g/mol

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OOClOHO
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C15H13ClO4
Molar mass
292.72 g/mol
Exact mass
292.0502 Da
logP
3.98Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
26129-32-8
SMILES
CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)O
InChIKey
BSFAVVHPEZCASB-UHFFFAOYSA-N
InChI
InChI=1S/C15H13ClO4/c1-10(15(17)18)19-12-6-8-14(9-7-12)20-13-4-2-11(16)3-5-13/h2-10H,1H3,(H,17,18)

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Names and synonyms

7 names
  • Propanoic acid, 2-[4-(4-chlorophenoxy)phenoxy]-
  • Propionic acid, 2-[p-(p-chlorophenoxy)phenoxy]-
  • 2-[4-(4-Chlorophenoxy)phenoxy]propanoic acid
  • HCG 004
  • HOE 19453
  • LF 479
  • 2-[4-(4-Chlorophenoxy)phenoxy]propionic acid

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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

2-(4-Chlorophenoxy)propionic acid3307-39-991 % similar 2-(4-Hydroxyphenoxy)propionic acid67648-61-765 % similar (2R)-2-(4-Hydroxyphenoxy)propanoic acid94050-90-565 % similar 2-(4-Methoxyphenoxy)propionic acid13794-15-563 % similar Dl-2-phenoxypropionic acid940-31-862 % similar Quizalofop-P94051-08-862 % similar Dichlorprop120-36-558 % similar Mecoprop7085-19-057 % similar

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

Elsewhere

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