chempirical

Methyl 3-bromopyruvate

C4H5BrO3CAS 7425-63-0180.99 g/mol

Open in Covalent MOL file
OOOBr
Alkyl halideEsterKetone

Properties

Molecular formula
C4H5BrO3
Molar mass
180.99 g/mol
Exact mass
179.9422 Da
logP
0.12Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
7425-63-0
SMILES
COC(=O)C(=O)CBr
InChIKey
MQONVZMIFQQQHA-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrO3/c1-8-4(7)3(6)2-5/h2H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Methyl bromopyruvate

Work with Methyl 3-bromopyruvate

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-(bromomethyl)-2-propenoate4224-69-557 % similar Ethyl bromopyruvate70-23-557 % similar Dimethyl 2-oxoglutarate13192-04-652 % similar Methyl acetopyruvate20577-61-152 % similar Dimethyl oxalate553-90-250 % similar 1,4-Dibromo-2,3-butanedione6305-43-750 % similar Methyl 2-bromoacetate96-32-250 % similar Methyl pyruvate600-22-641 % similar

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

Elsewhere

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