1-Bromo-3,5-dimethoxybenzene

C8H9BrO2CAS 20469-65-2217.06 g/mol

Open in Covalent MOL file
OBrO
Aryl halideEther

Properties

Molecular formula
C8H9BrO2
Molar mass
217.06 g/mol
Exact mass
215.9786 Da
logP
2.47Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
20469-65-2
SMILES
COC1=CC(=CC(=C1)Br)OC
InChIKey
KRWRFIMBWRVMKE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3

Weigh it out

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Work with 1-Bromo-3,5-dimethoxybenzene

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-Dibromo-5-methoxybenzene74137-36-389 % similar 1-Bromo-3-methoxy-5-methylbenzene29578-83-471 % similar 3-Bromo-5-fluoroanisole29578-39-068 % similar 1,3,5-Trimethoxybenzene621-23-867 % similar 3-Bromo-5-methoxybenzaldehyde262450-65-761 % similar 3-Bromoanisole2398-37-060 % similar 3-Bromo-5-methoxypyridine50720-12-258 % similar 3-Bromo-5-methoxybenzoic acid157893-14-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1,3-dimethoxybenzene16932-45-9 4-Bromo-2-methoxybenzyl alcohol 9717102-63-5 1-Bromo-2,4-dimethoxybenzene17715-69-4 1-Bromo-2,5-dimethoxybenzene25245-34-5 Bromoveratrole2859-78-1 2-(4-Bromophenoxy)ethanol34743-88-9 1-Bromo-2,3-dimethoxybenzene5424-43-1 5-Bromo-2-methoxybenzenemethanol80866-82-6

Elsewhere

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