chempirical

Mcpa methyl ester

C10H11ClO3CAS 2436-73-9214.64 g/mol

Open in Covalent MOL file
OOOCl
Aryl halideEsterEther

Properties

Molecular formula
C10H11ClO3
Molar mass
214.64 g/mol
Exact mass
214.0397 Da
Boiling point
127 °C (at 7 Torr)
logP
2.20Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
2436-73-9
SMILES
COC(=O)COc1ccc(Cl)cc1C
InChIKey
VWERIRLJUWTNDA-UHFFFAOYSA-N
InChI
InChI=1S/C10H11ClO3/c1-7-5-8(11)3-4-9(7)14-6-10(12)13-2/h3-5H,6H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2-(4-chloro-2-methylphenoxy)-, methyl ester
  • Acetic acid, [(4-chloro-o-tolyl)oxy]-, methyl ester
  • Acetic acid, (4-chloro-2-methylphenoxy)-, methyl ester
  • Methyl 4-chloro-2-methylphenoxyacetate
  • 2-Methyl-4-chlorophenoxyacetic acid methyl ester
  • (4-Chloro-2-methylphenoxy)acetic acid methyl ester

Work with Mcpa methyl ester

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-D Methyl ester1928-38-773 % similar Mcpa94-74-664 % similar 1,1′-Dimethyl 2,2′-[(4-methyl-1,2-phenylene)bis(oxy)]bis[acetate]52589-39-657 % similar Mcpb94-81-552 % similar 4-Chloro-1-methoxy-2-methylbenzene3260-85-351 % similar Ethyl 2,4-dichlorophenoxyacetate533-23-351 % similar Methyl 2,4-dichlorobenzeneacetate55954-23-949 % similar 2,4-D Isobutyl ester1713-15-148 % similar

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

Same formula

Mecoprop7085-19-0 Clofibric acid882-09-7 Mecoprop93-65-2

Elsewhere

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