chempirical

Methyl 2,5-dichlorobenzoate

C8H6Cl2O2CAS 2905-69-3205.03 g/mol

Open in Covalent MOL file
OOClCl
Aryl halideEster

Properties

Molecular formula
C8H6Cl2O2
Molar mass
205.03 g/mol
Exact mass
203.9745 Da
Melting point
37–40 °C
logP
2.78Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2905-69-3
SMILES
COC(=O)c1cc(Cl)ccc1Cl
InChIKey
SPJQBGGHUDNAIC-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

2 names
  • Benzoic acid, 2,5-dichloro-, methyl ester
  • 2,5-Dichlorobenzoic acid methyl ester

Work with Methyl 2,5-dichlorobenzoate

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

Methyl 5-chloro-2-methoxybenzoate33924-48-067 % similar Methyl 5-chloro-2-hydroxybenzoate4068-78-467 % similar Methyl 2-amino-5-chlorobenzoate5202-89-167 % similar Methyl 2-chlorobenzoate610-96-867 % similar Ethyl 2,5-dichlorobenzoate35112-27-765 % similar Methyl 2-amino-4-chlorobenzoate5900-58-364 % similar 1-Methyl 5-borono-2-chlorobenzoate874219-45-162 % similar Methyl 2-(acetylamino)-5-chlorobenzoate20676-54-459 % similar

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

Same formula

2,3-Dichlorophenylacetic acid10236-60-9 Methyl 2,6-dichlorobenzoate14920-87-7 2,4-Dichlorophenylacetic acid19719-28-9 Methyl 2,3-dichlorobenzoate2905-54-6 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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