Methyl 2,3-dichlorobenzoate

C8H6Cl2O2CAS 2905-54-6205.03 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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2905-54-6
SMILES
COC(=O)c1cccc(Cl)c1Cl
InChIKey
RFVULUSGHFRDHJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3

Weigh it out

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Names and synonyms

3 names
  • Benzoic acid, 2,3-dichloro-, methyl ester
  • 2,3-Dichlorobenzoic acid methyl ester
  • 2,3-Dichloro-benzoic acid methyl ester

Work with Methyl 2,3-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-chlorobenzoate610-96-874 % similar Methyl 2-amino-3-chlorobenzoate77820-58-768 % similar Dimethyl phthalate131-11-360 % similar Methyl 2,4-dichlorobenzoate35112-28-858 % similar 1-(2,3-Dichlorophenyl)ethanone56041-57-756 % similar 4-Bromo-2-chlorobenzoic acid methyl ester185312-82-755 % similar Methyl-5-amino-2-chlorobenzoate42122-75-855 % similar Methyl 4-amino-2-chlorobenzoate46004-37-955 % 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 3,5-Dichlorobenzoic acid methyl ester2905-67-1 Methyl 3,4-dichlorobenzoate2905-68-2 Methyl 2,5-dichlorobenzoate2905-69-3 5-Chloro-2-methoxybenzoyl chloride29568-33-0 3',5'-Dichloro-2'-hydroxyacetophenone3321-92-4

Elsewhere

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