Methyl 2-bromo-6-methylbenzoate

C₉H₉BrO₂CAS 99548-56-8229.07 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₉BrO₂
Molar mass: 229.07 g/mol
Exact mass: 227.9786 Da
logP: 2.54Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

99548-56-8

SMILES

CC1=C(C(=CC=C1)Br)C(=O)OC

InChIKey

DDJSNWUTQDNGIZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3

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Work with Methyl 2-bromo-6-methylbenzoate

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-chlorobenzoate685892-23-366 % similar 3-Bromo-2-methyl-benzoic acid methyl ester99548-54-657 % similar 2-Bromo-6-methylbenzoic acid90259-31-756 % similar Methyl 2-bromobenzoate610-94-654 % similar Methyl 2-methylbenzoate89-71-454 % similar 2-Carbomethoxy-6-methylaniline22223-49-053 % similar Methyl 3-bromo-2-hydroxybenzoate28165-45-953 % similar Methyl 2,6-dichlorobenzoate14920-87-751 % similar

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

Same formula

Methyl 3-bromo-4-methylbenzoate104901-43-1 2-(4-Bromophenyl)-1,3-dioxolane10602-01-4 Methyl 3-(bromomethyl)benzoate1129-28-8 Methyl 2-bromo-3-methylbenzoate131001-86-0 4-(Bromomethyl)phenylacetic acid13737-36-5 Methyl 4-bromo-3-methylbenzoate148547-19-7 Methyl 2-(3-bromophenyl)acetate150529-73-0 3-(2-Bromophenyl)propionic acid15115-58-9

Elsewhere

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