chempirical

Methyl 2,6-dichlorobenzoate

C8H6Cl2O2CAS 14920-87-7205.03 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
logP
2.78Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
14920-87-7
SMILES
COC(=O)C1=C(C=CC=C1Cl)Cl
InChIKey
HEYGSGDIWJDORA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3

Weigh it out

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

Work with Methyl 2,6-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 2-bromo-6-chlorobenzoate685892-23-377 % similar Methyl 2-chlorobenzoate610-96-867 % similar Methyl 2-amino-3-chlorobenzoate77820-58-761 % similar Dimethyl isophthalate1459-93-459 % similar Methyl 2,6-dimethoxybenzoate2065-27-258 % similar Methyl 2,6-dihydroxybenzoate2150-45-058 % similar Dimethyl tetrachloroterephthalate1861-32-157 % similar 4-Chloro-3-methylbenzoic acid methyl ester91367-05-456 % similar

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

Same formula

2,3-Dichlorophenylacetic acid10236-60-9 2,4-Dichlorophenylacetic acid19719-28-9 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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