4-Bromoquinoline

C9H6BrNCAS 3964-04-3208.06 g/mol

Open in Covalent MOL file
NBr
Aryl halide

Properties

Molecular formula
C9H6BrN
Molar mass
208.06 g/mol
Exact mass
206.9684 Da
logP
3.00Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
3964-04-3
SMILES
C1=CC=C2C(=C1)C(=CC=N2)Br
InChIKey
SUXIPCHEUMEUSV-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H

Weigh it out

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

Work with 4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,7-Dibromo-1,10-phenanthroline156492-30-752 % similar Lepidine491-35-052 % similar 4-Chloroquinoline611-35-852 % similar 1,4-Dibromonaphthalene83-53-450 % similar 5-Bromo-1-chloroisoquinoline34551-41-248 % similar 5-Bromo-quinazoline958452-00-148 % similar 5-Bromo-1(2H)-isoquinolinone190777-77-647 % similar Quinoline-4-boronic acid371764-64-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromoisoquinoline1532-71-4 4-Bromoisoquinoline1532-97-4 8-Bromoquinoline16567-18-3 2-Bromoquinoline2005-43-8 3-Bromoisoquinoline34784-02-6 5-Bromoisoquinoline34784-04-8 6-Bromoisoquinoline34784-05-9 5-Bromoquinoline4964-71-0

Elsewhere

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