chempirical

Methyl (R)-(+)-3-bromo-2-methylpropionate

C5H9BrO2CAS 110556-33-7181.03 g/mol

Open in Covalent MOL file
BrOO
Alkyl halideEster

Properties

Molecular formula
C5H9BrO2
Molar mass
181.03 g/mol
Exact mass
179.9786 Da
logP
1.19Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
110556-33-7
SMILES
C[C@@H](CBr)C(=O)OC
InChIKey
FKWNAVCXZSQYTA-BYPYZUCNSA-N
InChI
InChI=1S/C5H9BrO2/c1-4(3-6)5(7)8-2/h4H,3H2,1-2H3/t4-/m0/s1

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Names and synonyms

1 names
  • (R)-Methyl 3-bromo-2-methylpropanoate

Work with Methyl (R)-(+)-3-bromo-2-methylpropionate

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-methylbutanoate868-57-561 % similar Methyl 2,3-dibromopropionate1729-67-559 % similar Methyl 2-methylpentanoate2177-77-757 % similar Methyl 2-bromopropanoate5445-17-048 % similar Methyl isobutyrate547-63-748 % similar Dimethyl methylmalonate609-02-948 % similar 1,3-Dimethyl 2-(2-methylpropyl)propanedioate39520-24-647 % similar Methyl cyclopropanecarboxylate2868-37-346 % similar

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

Same formula

2-(2-Bromoethyl)-1,3-dioxolane18742-02-4 5-Bromopentanoic acid2067-33-6 Methyl 2-bromo-2-methylpropanoate23426-63-3 (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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