chempirical

Methyl 2,4-dibromobutyrate

C5H8Br2O2CAS 70288-65-2259.93 g/mol

Open in Covalent MOL file
OOBrBr
Alkyl halideEster

Properties

Molecular formula
C5H8Br2O2
Molar mass
259.93 g/mol
Exact mass
257.8891 Da
logP
1.71Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

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
70288-65-2
SMILES
COC(=O)C(CCBr)Br
InChIKey
DQHIGEQXJBMKKY-UHFFFAOYSA-N
InChI
InChI=1S/C5H8Br2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3H2,1H3

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Names and synonyms

1 names
  • Methyl 2,4-dibromobutanoate

Work with Methyl 2,4-dibromobutyrate

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

Dimethyl2,2'-dibromoadipate868-72-477 % similar Methyl 2,3-dibromopropionate1729-67-566 % similar Ethyl 2,4-dibromobutyrate36847-51-563 % similar Methyl 2-bromohexanoate4554-19-263 % similar Methyl 2-bromohexanoate5445-19-263 % similar Methyl 2-bromobutanoate3196-15-460 % similar Methyl 2-bromobutanoate69043-96-560 % similar Methyl 2-bromotetradecanoate16631-25-759 % similar

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

Same formula

Ethyl 2,3-dibromopropanoate3674-13-3

Elsewhere

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