chempirical

Methyl 2-bromo-2-methylpropanoate

C5H9BrO2CAS 23426-63-3181.03 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C5H9BrO2
Molar mass
181.03 g/mol
Exact mass
179.9786 Da
Density
1.331 g/mL (at 20 °C)
Boiling point
52 °C (at 19 Torr)
logP
1.33Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
23426-63-3
SMILES
COC(=O)C(C)(C)Br
InChIKey
PQUSVJVVRXWKDG-UHFFFAOYSA-N
InChI
InChI=1S/C5H9BrO2/c1-5(2,6)4(7)8-3/h1-3H3

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Names and synonyms

16 names · show all
  • Propanoic acid, 2-bromo-2-methyl-, methyl ester
  • Propionic acid, 2-bromo-2-methyl-, methyl ester
  • α-Bromoisobutyric acid methyl ester
  • Methyl 2-bromo-2-methylpropionate
  • Methyl 2-bromoisobutyrate
  • Methyl α-bromo-α-methylpropionate
  • Methyl α-bromoisobutyrate
  • 2-Bromo-2-methylpropanoic acid methyl ester
  • 2-Bromoisobutyric acid methyl ester
  • NSC 406890
  • Methyl 2-bromoisobutanoate
  • 2-Bromo-2-methylpropionic acid methyl ester
  • 2-Bromomethyl methacrylate
  • Methyl α,α-dimethylbromoacetate
  • Methyl 2-bromoisobutylate
  • Methyl bromodimethylacetate

Work with Methyl 2-bromo-2-methylpropanoate

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

1,1-Dimethylethyl 2-bromo-2-methylpropanoate23877-12-558 % similar Methyl pivalate598-98-154 % similar 1-Methylethyl 2-bromo-2-methylpropanoate51368-55-954 % similar Ethyl 2-bromoisobutyrate600-00-054 % similar Methyl α,α-dimethylacetoacetate38923-57-850 % similar Methyl 2-hydroxyisobutyrate2110-78-348 % similar 1,1′-Dimethyl 2,2′-(1,2-diazenediyl)bis[2-methylpropanoate]2589-57-348 % similar Methyl 2-fluoroisobutyrate338-76-148 % similar

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

Same formula

Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-7 2-(2-Bromoethyl)-1,3-dioxolane18742-02-4 5-Bromopentanoic acid2067-33-6 (2S)-2-Bromo-3-methylbutanoic acid26782-75-2 Isopropyl bromoacetate29921-57-1 Methyl 2-bromobutanoate3196-15-4 Methyl 4-bromobutyrate4897-84-1 Ethyl 2-bromopropionate535-11-5

Elsewhere

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