6-Bromo-4-methoxy-1H-indole

C₉H₈BrNOCAS 393553-57-6226.07 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₉H₈BrNO
Molar mass: 226.07 g/mol
Exact mass: 224.9789 Da
logP: 2.94Crippen estimate
Polar surface area: 25.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

393553-57-6

SMILES

COc1cc(Br)cc2[nH]ccc12

InChIKey

WPFDDPXFOMVGIN-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrNO/c1-12-9-5-6(10)4-8-7(9)2-3-11-8/h2-5,11H,1H3

Weigh it out

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

Names and synonyms

2 names

1H-Indole, 6-bromo-4-methoxy-
6-Bromo-4-methoxyindole

Work with 6-Bromo-4-methoxy-1H-indole

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

Methyl 6-bromoindole-4-carboxylate107650-22-652 % similar 6,7-Dimethoxy-4-hydroxyquinoline13425-93-949 % similar 1-Bromo-3,4,5-trimethoxybenzene2675-79-848 % similar 5,6-Dimethoxyindole14430-23-047 % similar Bromoveratrole2859-78-147 % similar 7-Bromo-4-hydroxyquinoline82121-06-044 % similar 4-Bromo-2-methoxybenzenamine59557-91-443 % similar 5-Bromo-2-chloroanisole16817-43-942 % similar

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

Same formula

6-Bromo-3,4-dihydro-2H-isoquinolin-1-one147497-32-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook