Molecular properties
- Formula
- C8H6BrN
- Molar mass
- 196.05 g·mol−1
- Exact mass
- 194.9684 Da
- 6
- PubChem CID
- 54019998
Molecule record
4-bromo-2H-isoindole
C8H6BrN
196.05 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 4-bromoisoindole
- KYGJAUVPAIBFHB-UHFFFAOYSA-N
- SCHEMBL1046207
Structure identifiers
- Canonical SMILES
- Brc1cccc2c[nH]cc12
- Isomeric SMILES
- C1=CC2=CNC=C2C(=C1)Br
- InChI
- InChI=1S/C8H6BrN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-5,10H
- InChIKey
- KYGJAUVPAIBFHB-UHFFFAOYSA-N
- PubChem CID
- 54019998
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-bromo-2H-isoindole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-bromo-2H-isoindole; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.