chempirical

2,4-Dichlorophenylacetic acid

C8H6Cl2O2CAS 19719-28-9205.03 g/mol

Open in Covalent MOL file
OHOClCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H6Cl2O2
Molar mass
205.03 g/mol
Exact mass
203.9745 Da
Melting point
131 °C
logP
2.62Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
19719-28-9
SMILES
O=C(O)Cc1ccc(Cl)cc1Cl
InChIKey
GXMWLJKTGBZMBH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)

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Names and synonyms

5 names
  • Benzeneacetic acid, 2,4-dichloro-
  • Acetic acid, (2,4-dichlorophenyl)-
  • 2,4-Dichlorobenzeneacetic acid
  • NSC 54853
  • 2-(2,4-Dichlorophenyl)acetic acid

Work with 2,4-Dichlorophenylacetic 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-Chloro-4-fluorobenzeneacetic acid177985-32-967 % similar (2-Chlorophenyl)acetic acid2444-36-267 % similar 2-Bromo-4-chlorobenzeneacetic acid52864-56-967 % similar (βS)-β-Amino-2,4-dichlorobenzenebutanoic acid270063-47-363 % similar Methyl 2,4-dichlorobenzeneacetate55954-23-956 % similar 2,4-Dichlorophenoxyacetic acid94-75-756 % similar 5-Chlorobenzo[B]thiophene-3-acetic acid17266-30-756 % similar (4-Chlorophenyl)acetic acid1878-66-656 % similar

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

Same formula

2,3-Dichlorophenylacetic acid10236-60-9 Methyl 2,3-dichlorobenzoate2905-54-6 Methyl 2,5-dichlorobenzoate2905-69-3 Methyl 2,4-dichlorobenzoate35112-28-8 3,5-Dichlorobenzeneacetic acid51719-65-4 3,4-Dichlorophenylacetic acid5807-30-7 2,6-Dichlorophenylacetic acid6575-24-2

Elsewhere

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