2-Bromo-4,5-dimethoxyphenylacetic acid

C₁₀H₁₁BrO₄CAS 4697-62-5275.10 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₁BrO₄
Molar mass: 275.10 g/mol
Exact mass: 273.9841 Da
logP: 2.09Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

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

Identifiers

CAS number

4697-62-5

SMILES

COC1=C(C=C(C(=C1)CC(=O)O)Br)OC

InChIKey

MDOLAGJKKZEHHW-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO4/c1-14-8-3-6(4-10(12)13)7(11)5-9(8)15-2/h3,5H,4H2,1-2H3,(H,12,13)

Weigh it out

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Work with 2-Bromo-4,5-dimethoxyphenylacetic acid

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-Bromo-4-methoxybenzeneacetic acid66916-99-265 % similar 5-Bromo-2-methoxyphenylacetic acid7017-48-361 % similar 3-Bromo-4-methoxyphenylacetic acid774-81-261 % similar 3-Bromo-4-hydroxy-5-methoxyphenylacetic acid206559-42-458 % similar (4,5-Dimethoxy-2-nitro-phenyl)-acetic acid73357-18-357 % similar 2-Bromo-4,5-difluorophenylacetic acid883502-07-656 % similar 2-Methoxyphenylacetic acid93-25-456 % similar 2,5-Dimethoxyphenylacetic acid1758-25-456 % similar

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

Elsewhere

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