1-Bromo-2,3-dimethoxybenzene

C8H9BrO2CAS 5424-43-1217.06 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 4 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
5424-43-1
SMILES
COC1=C(C(=CC=C1)Br)OC
InChIKey
UCEJNFOIRGNMKV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,1-2H3

Weigh it out

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Work with 1-Bromo-2,3-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

2,6-Dibromoanisole38603-09-774 % similar 1,2,3-Trimethoxybenzene634-36-670 % similar 2-Bromoanisole578-57-464 % similar 2-Amino-6-bromoanisole116557-46-161 % similar 1-Bromo-3-methoxy-2-methylbenzene31804-36-161 % similar 1-Bromo-2-fluoro-3-methoxybenzene295376-21-559 % similar 2-Bromo-6-fluoroanisole845829-94-959 % similar 2,3-Dimethoxytoluene4463-33-657 % 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-3,5-dimethoxybenzene20469-65-2 1-Bromo-2,5-dimethoxybenzene25245-34-5 Bromoveratrole2859-78-1 2-(4-Bromophenoxy)ethanol34743-88-9 5-Bromo-2-methoxybenzenemethanol80866-82-6

Elsewhere

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