chempirical

3-Chlorophenoxyacetic acid

C8H7ClO3CAS 588-32-9186.59 g/mol

Open in Covalent MOL file
OHOOCl
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H7ClO3
Molar mass
186.59 g/mol
Exact mass
186.0084 Da
Melting point
109.7–110.2 °C
logP
1.80Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
588-32-9
SMILES
O=C(O)COc1cccc(Cl)c1
InChIKey
XSBUXVWJQVTYLC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2-(3-chlorophenoxy)-
  • Acetic acid, (m-chlorophenoxy)-
  • Acetic acid, (3-chlorophenoxy)-
  • 2-(3-Chlorophenoxy)acetic acid
  • m-Chlorophenoxyacetic acid
  • NSC 30115

Work with 3-Chlorophenoxyacetic 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

2-(3-Methylphenoxy)acetic acid1643-15-865 % similar Phenoxyacetic acid122-59-864 % similar 2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-659 % similar 2,4-Dichlorophenoxyacetic acid94-75-759 % similar 2-Naphthoxyacetic acid120-23-058 % similar Mcpa94-74-656 % similar O-Chlorophenoxyacetic acid614-61-955 % similar (3-Chlorophenyl)acetic acid1878-65-554 % similar

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

Same formula

2-Chloromandelic acid10421-85-9 4-Chlorophenoxyacetic acid122-88-3 3-Chloromandelic acid16273-37-3 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-0 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3 5-Chloro-2-methoxybenzoic acid3438-16-2 3-Chloro-4-methoxybenzoic acid37908-96-6

Elsewhere

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