chempirical

7-Bromoisoquinoline

C9H6BrNCAS 58794-09-5208.06 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
58794-09-5
SMILES
C1=CC(=CC2=C1C=CN=C2)Br
InChIKey
KABRXLINDSPGDF-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H

Weigh it out

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

Work with 7-Bromoisoquinoline

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

7-Isoquinolinol7651-83-459 % similar 2,7-Dibromonaphthalene58556-75-558 % similar 2,6-Dibromonaphthalene13720-06-454 % similar 2-Bromonaphthalene580-13-252 % similar 2,6-Dibromoanthracene186517-01-150 % similar 6-Bromo-quinazoline89892-21-750 % similar 7-Bromoquinazoline89892-22-850 % similar 6-Isoquinolinol7651-82-348 % 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 4-Bromoquinoline3964-04-3

Elsewhere

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