Molecular properties
- Formula
- C9H8BrN
- Molar mass
- 210.07 g·mol−1
- Exact mass
- 208.9840 Da
- 6
- PubChem CID
- 87322606
Molecule record
2-bromo-1H-isoquinoline
C9H8BrN
210.07 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-bromoisoquinoline
- SCHEMBL2003169
Structure identifiers
- Canonical SMILES
- BrN1C=Cc2ccccc2C1
- Isomeric SMILES
- C1C2=CC=CC=C2C=CN1Br
- InChI
- InChI=1S/C9H8BrN/c10-11-6-5-8-3-1-2-4-9(8)7-11/h1-6H,7H2
- InChIKey
- WVDARQFRSJYGOH-UHFFFAOYSA-N
- PubChem CID
- 87322606
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 2-bromo-1H-isoquinoline; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-bromo-1H-isoquinoline; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.