8-Bromoquinoline

C₉H₆BrNCAS 16567-18-3208.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆BrN
Molar mass: 208.06 g/mol
Exact mass: 206.9684 Da
Melting point: 80 °C
Boiling point: 302 °C
logP: 3.00Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

16567-18-3

SMILES

Brc1cccc2cccnc12

InChIKey

PIWNKSHCLTZKSZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H

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

Names and synonyms

1 names

Quinoline, 8-bromo-

Work with 8-Bromoquinoline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,10-Phenanthroline66-71-761 % similar 5-Bromo-1,10-phenanthroline40000-20-257 % similar 8-Chloroquinoline611-33-656 % similar 1,10-Phenanthroline hydrochloride3829-86-554 % similar 4,5-Phenanthroline monohydrate5144-89-854 % similar 8-Iodo quinoline1006-47-954 % similar 8-Hydroxyquinoline148-24-354 % similar 8-Fluoroquinoline394-68-354 % similar

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

Same formula

4-Bromoisoquinoline1532-97-4 6-Bromoisoquinoline34784-05-9 7-Bromoquinoline4965-36-0 3-Bromoquinoline5332-24-1 6-Bromoquinoline5332-25-2

Elsewhere

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