Ethyl 1-bromocyclobutanecarboxylate

C₇H₁₁BrO₂CAS 35120-18-4207.07 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₇H₁₁BrO₂
Molar mass: 207.07 g/mol
Exact mass: 205.9942 Da
Boiling point: 67–68 °C (at 5 Torr)
logP: 1.87Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

35120-18-4

SMILES

CCOC(=O)C1(Br)CCC1

InChIKey

UTVNSHXHFRIXMM-UHFFFAOYSA-N

InChI

InChI=1S/C7H11BrO2/c1-2-10-6(9)7(8)4-3-5-7/h2-5H2,1H3

Weigh it out

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Names and synonyms

7 names

Cyclobutanecarboxylic acid, 1-bromo-, ethyl ester
1-Bromo-1-carbethoxycyclobutane
Ethyl 1-bromocyclobutane-1-carboxylate
1-Ethoxycarbonyl-1-bromocyclobutane
NSC 135010
1-Bromocyclobutanecarboxylic acid ethyl ester
Ethyl 1-bromocyclobutanoate

Work with Ethyl 1-bromocyclobutanecarboxylate

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

1,3-Diethyl 2,2-dibromopropanedioate631-22-159 % similar Diethyl 1,1-cyclopropanedicarboxylate1559-02-055 % similar 1,3-Diethyl 2-bromo-2-methylpropanedioate29263-94-355 % similar Ethyl 2-bromoisobutyrate600-00-055 % similar Ethyl bromodifluoroacetate667-27-653 % similar Ethyl 2-bromo-2,3,3,3-tetrafluoropropionate10186-73-953 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-452 % similar Diethyl dibutylmalonate596-75-852 % similar

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

Same formula

Ethyl 2-bromo-2-cyclopropylacetate1200828-74-5

Elsewhere

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