Molecular properties
- Formula
- C7H7BrO3
- Molar mass
- 219.03 g·mol−1
- Exact mass
- 217.9579 Da
- 4
- PubChem CID
- 57347902
Molecule record
6-bromo-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
C7H7BrO3
219.03 g/mol
Loading structure
Functional groups
Alcohol
Alkane / alkyl carbon
Alkene
Alkyl halide
Carboxylic acid
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1321-05-7
- 2-BROMOSALICYLIC ACID
- DTXCID30672259
- DTXSID30721514
- RefChem:307602
- SCHEMBL1648363
Structure identifiers
- Canonical SMILES
- O=C(O)C1C=CC=CC1(O)Br
- Isomeric SMILES
- C1=CC(C(C=C1)(O)Br)C(=O)O
- InChI
- InChI=1S/C7H7BrO3/c8-7(11)4-2-1-3-5(7)6(9)10/h1-5,11H,(H,9,10)
- InChIKey
- IWJWHLRGMLXGPS-UHFFFAOYSA-N
- PubChem CID
- 57347902
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 6-bromo-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 6-bromo-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.