4-Bromo-8-methoxyquinoline

C₁₀H₈BrNOCAS 103028-31-5238.08 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₀H₈BrNO
Molar mass: 238.08 g/mol
Exact mass: 236.9789 Da
logP: 3.01Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

103028-31-5

SMILES

COC1=CC=CC2=C(C=CN=C21)Br

InChIKey

ZTCUNVSNCQDTQR-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BrNO/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Bromo-8-methoxyquinoline

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

4,7-Dibromo-1,10-phenanthroline156492-30-753 % similar 8-Methoxyquinoline938-33-053 % similar 1-Bromo-4-methoxynaphthalene5467-58-350 % similar 1-Bromo-2,3-dimethoxybenzene5424-43-149 % similar 4,7-Dimethoxy-1,10-phenanthroline92149-07-049 % similar 2-Bromoanisole578-57-448 % similar 5-Methoxyquinoline6931-19-747 % similar 1-Bromo-3-methoxy-2-methylbenzene31804-36-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-8-methoxyquinoline103028-32-6 4-(Bromomethyl)-1,2-dihydroquinolin-2-one4876-10-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook