chempirical

Ethyl 2-bromo-2-cyclopropylacetate

C7H11BrO2CAS 1200828-74-5207.07 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C7H11BrO2
Molar mass
207.07 g/mol
Exact mass
205.9942 Da
logP
1.72Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
1200828-74-5
SMILES
CCOC(=O)C(C1CC1)Br
InChIKey
BTAPHOMYBWYDEU-UHFFFAOYSA-N
InChI
InChI=1S/C7H11BrO2/c1-2-10-7(9)6(8)5-3-4-5/h5-6H,2-4H2,1H3

Weigh it out

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Work with Ethyl 2-bromo-2-cyclopropylacetate

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

Ethyl 2-bromo-3-methylbutanoate609-12-167 % similar Ethyl 2,3-dibromobutanoate609-11-065 % similar 1,6-Diethyl 2,5-dibromohexanedioate869-10-360 % similar Ethyl cyclopropanecarboxylate4606-07-955 % similar Ethyl 2-bromopropionate535-11-555 % similar Ethyl α-bromovalerate615-83-855 % similar Ethyl bromofluoroacetate401-55-853 % similar Ethyl α-bromobutyrate533-68-653 % similar

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

Same formula

Ethyl 1-bromocyclobutanecarboxylate35120-18-4

Elsewhere

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