Methyl 5-bromo-2-furoate

C₆H₅BrO₃CAS 2527-99-3205.01 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₅BrO₃
Molar mass: 205.01 g/mol
Exact mass: 203.9422 Da
logP: 1.83Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation13% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation10.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2527-99-3

SMILES

COC(=O)C1=CC=C(O1)Br

InChIKey

FBPIDMAELBIRLE-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3

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Names and synonyms

1 names

Methyl 5-bromofuran-2-carboxylate

Work with Methyl 5-bromo-2-furoate

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

2,5-Dimethyl 2,5-furandicarboxylate4282-32-071 % similar Methyl 5-methyl-2-furancarboxylate2527-96-061 % similar Methyl 5-amino-2-furoate22600-30-259 % similar Methyl 5-chloromethyl-2-furoate2144-37-854 % similar Methyl 5-nitro-2-furoate1874-23-351 % similar 5-Bromo-2-furancarboxylic acid585-70-650 % similar Methyl 2-bromobenzoate610-94-649 % similar Methyl 2-furoate611-13-249 % similar

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

Same formula

Methyl4-bromofuran-2-carboxylate58235-80-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook