chempirical

O-Chlorophenoxyacetic acid

C8H7ClO3CAS 614-61-9186.59 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
148–149 °C
logP
1.80Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
614-61-9
SMILES
O=C(O)COc1ccccc1Cl
InChIKey
OPQYFNRLWBWCST-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO3/c9-6-3-1-2-4-7(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

8 names
  • Acetic acid, 2-(2-chlorophenoxy)-
  • Acetic acid, (o-chlorophenoxy)-
  • Acetic acid, (2-chlorophenoxy)-
  • 2-(2-Chlorophenoxy)acetic acid
  • (2-Chlorophenoxy)acetic acid
  • NSC 8454
  • 2-(o-Chlorophenoxy)acetic acid
  • Ortho-chlorophenoxyacetic acid

Work with O-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-Dichlorophenoxyacetic acid2976-74-176 % similar 1,2-Phenylenedioxydiacetic acid5411-14-373 % similar 2,4-Dichlorophenoxyacetic acid94-75-769 % similar 2,4,5-Trichlorophenoxyacetic acid93-76-568 % similar Naphthoxyacetic acid2976-75-264 % similar (2-Methylphenoxy)acetic acid1878-49-561 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-961 % similar Aminol2008-39-160 % 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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