Ethyl 2-bromo-2-cyclopropylacetate

C₇H₁₁BrO₂CAS 1200828-74-5207.07 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
logP: 1.72Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302+H332 Harmful if swallowed or if inhaled100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Type any one amount. The others follow from the molar mass.

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 Diethyl bromomalonate685-87-059 % similar Ethyl cyclopropanecarboxylate4606-07-955 % similar Ethyl 2-bromopropionate535-11-555 % similar Ethyl α-bromovalerate615-83-855 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-354 % 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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