chempirical

2,4-Db

C10H10Cl2O3CAS 94-82-6249.09 g/mol

Open in Covalent MOL file
OHOOClCl
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C10H10Cl2O3
Molar mass
249.09 g/mol
Exact mass
248.0007 Da
Melting point
118–120 °C
Boiling point
324.35 °C
logP
3.24Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
94-82-6
SMILES
O=C(O)CCCOc1ccc(Cl)cc1Cl
InChIKey
YIVXMZJTEQBPQO-UHFFFAOYSA-N
InChI
InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)

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

Names and synonyms

15 names · show all
  • Butanoic acid, 4-(2,4-dichlorophenoxy)-
  • Butyric acid, 4-(2,4-dichlorophenoxy)-
  • 4-(2,4-Dichlorophenoxy)butanoic acid
  • Butyrac
  • Butyrac 118
  • γ-(2,4-Dichlorophenoxy)butyric acid
  • 4-(2,4-Dichlorophenoxy)butyric acid
  • Legumex D
  • 2,4-Dichlorophenoxybutyric acid
  • 2,4-DM
  • Legumex
  • Sys 67 buratal
  • Buratal
  • NSC 70337
  • Butyrac 200

Work with 2,4-Db

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mcpb94-81-572 % similar 2,4-Dichlorophenoxyacetic acid94-75-770 % similar Aminol2008-39-161 % similar 2-(2,4-Dichlorophenoxy)ethanol120-67-256 % similar Butyl (2,4-dichlorophenoxy)acetate94-80-452 % similar 2,4-Dichlorophenylacetic acid19719-28-951 % similar 3-(4-Chlorophenoxy)propanoic acid3284-79-551 % similar 6-Chloro-2,3-dihydro-4H-1-benzopyran-4-one37674-72-950 % similar

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

Same formula

Ethyl 2,4-dichlorophenoxyacetate533-23-3

Elsewhere

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