Ethyl(5-bromobenzofuran)-2-carboxylate

C₁₁H₉BrO₃CAS 84102-69-2269.09 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₁H₉BrO₃
Molar mass: 269.09 g/mol
Exact mass: 267.9735 Da
logP: 3.37Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

84102-69-2

SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)Br

InChIKey

XLJWAHXKBCDQNP-UHFFFAOYSA-N

InChI

InChI=1S/C11H9BrO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3

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Names and synonyms

1 names

Ethyl (5-bromobenzofuran)-2-carboxylate

Work with Ethyl(5-bromobenzofuran)-2-carboxylate

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 5-aminobenzofuran-2-carboxylate174775-48-568 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-967 % similar Ethyl 5-nitrobenzofuran-2-carboxylate69604-00-861 % similar 5-Bromo-2-benzofurancarboxylic acid10242-11-255 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-054 % similar Diethyl 2,5-furandicarboxylate53662-83-253 % similar Ethyl 4-bromobenzoate5798-75-452 % similar Ethyl 3-bromobenzoate24398-88-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromomethyl-7-methoxycoumarin35231-44-8

Elsewhere

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