2-Methylpropyl 2-bromoacetate

C6H11BrO2CAS 59956-48-8195.06 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C6H11BrO2
Molar mass
195.06 g/mol
Exact mass
193.9942 Da
logP
1.58Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403, P405, P501

Identifiers

CAS number
59956-48-8
SMILES
CC(C)COC(=O)CBr
InChIKey
UOUQDZFAJUNYQQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrO2/c1-5(2)4-9-6(8)3-7/h5H,3-4H2,1-2H3

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Names and synonyms

1 names
  • Isobutyl bromoacetate

Work with 2-Methylpropyl 2-bromoacetate

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

Isobutyl isovalerate589-59-363 % similar Diisobutyl adipate141-04-861 % similar Isobutyl propionate540-42-161 % similar Isobutyl butyrate539-90-259 % similar Propyl bromoacetate35223-80-455 % similar Isobutyl acetoacetate7779-75-155 % similar 1,1′-(1,2-Ethanediyl) bis(2-bromoacetate)3785-34-054 % similar Ethyl bromoacetate105-36-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-bromo-3-methylbutanoate26330-51-8 Ethyl 4-bromobutyrate2969-81-5 2-(2-Bromoethyl)-1,3-dioxane33884-43-4 6-Bromohexanoic acid4224-70-8 4-Acetoxy-1-bromobutane4753-59-7 tert-Butyl bromoacetate5292-43-3 Ethyl α-bromobutyrate533-68-6 Methyl 5-bromopentanoate5454-83-1

Elsewhere

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